1-[3-chloro-4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]-N,N-dimethylmethanamine;[3-chloro-4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methanamine;6-[3-[3-[3-(2,2-dimethylazetidin-1-yl)propoxy]-2-methylphenyl]phenyl]-1,2,3,4-tetrahydroisoquinoline;2-[3-[3-(2,2-dimethylazetidin-1-yl)propoxy]-2-methylphenyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzonitrile;(1S)-1-[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]ethanamine;(1R)-1-[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]ethanamine;bis(2-[[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]acetic acid);4-[[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]butanoic acid;1-[4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-2-methoxyphenyl]-N,N-dimethylmethanamine;1-[4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-3-methoxyphenyl]-N,N-dimethylmethanamine

C345H429Cl2F4N23O19 — CID 167613457

IUPAC1-[3-chloro-4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]-N,N-dimethylmethanamine;[3-chloro-4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methanamine;6-[3-[3-[3-(2,2-dimethylazetidin-1-yl)propoxy]-2-methylphenyl]phenyl]-1,2,3,4-tetrahydroisoquinoline;2-[3-[3-(2,2-dimethylazetidin-1-yl)propoxy]-2-methylphenyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzonitrile;(1S)-1-[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]ethanamine;(1R)-1-[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]ethanamine;bis(2-[[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]acetic acid);4-[[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]butanoic acid;1-[4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-2-methoxyphenyl]-N,N-dimethylmethanamine;1-[4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-3-methoxyphenyl]-N,N-dimethylmethanamine
SMILESCOc1cc(-c2cccc(-c3cccc(OCCCN4CCC(F)CC4)c3C)c2C)ccc1CN(C)C.COc1cc(CN(C)C)ccc1-c1cccc(-c2cccc(OCCCN3CCC(F)CC3)c2C)c1C.Cc1c(OCCCN2CCC(F)CC2)cccc1-c1cccc(-c2ccc(CN(C)C)cc2Cl)c1C.Cc1c(OCCCN2CCC(F)CC2)cccc1-c1cccc(-c2ccc(CN)cc2Cl)c1C.Cc1c(OCCCN2CCC2(C)C)cccc1-c1cccc(-c2ccc3c(c2)CCNC3)c1.Cc1c(OCCCN2CCC2(C)C)cccc1-c1cccc(-c2ccc3c(c2)CCNC3)c1C#N.Cc1c(OCCCN2[C@H](C)CC[C@H]2C)cccc1-c1cccc(-c2ccc(CNCC(=O)O)cc2)c1C.Cc1c(OCCCN2[C@H](C)CC[C@H]2C)cccc1-c1cccc(-c2ccc(CNCC(=O)O)cc2)c1C.Cc1c(OCCCN2[C@H](C)CC[C@H]2C)cccc1-c1cccc(-c2ccc(CNCCCC(=O)O)cc2)c1C.Cc1c(OCCCN2[C@H](C)CC[C@H]2C)cccc1-c1cccc(-c2ccc([C@@H](C)N)cc2)c1C.Cc1c(OCCCN2[C@H](C)CC[C@H]2C)cccc1-c1cccc(-c2ccc([C@H](C)N)cc2)c1C
InChIInChI=1S/C34H44N2O3.2C32H41FN2O2.2C32H40N2O3.C31H38ClFN2O.C31H35N3O.2C31H40N2O.C30H36N2O.C29H34ClFN2O/c1-24-14-15-25(2)36(24)21-8-22-39-33-12-6-11-32(27(33)4)31-10-5-9-30(26(31)3)29-18-16-28(17-19-29)23-35-20-7-13-34(37)38;1-23-28(25-13-14-26(22-34(3)4)32(21-25)36-5)9-6-10-29(23)30-11-7-12-31(24(30)2)37-20-8-17-35-18-15-27(33)16-19-35;1-23-27(9-6-10-28(23)30-14-13-25(22-34(3)4)21-32(30)36-5)29-11-7-12-31(24(29)2)37-20-8-17-35-18-15-26(33)16-19-35;2*1-22-12-13-23(2)34(22)18-7-19-37-31-11-6-10-30(25(31)4)29-9-5-8-28(24(29)3)27-16-14-26(15-17-27)20-33-21-32(35)36;1-22-26(8-5-9-27(22)29-13-12-24(20-30(29)32)21-34(3)4)28-10-6-11-31(23(28)2)36-19-7-16-35-17-14-25(33)15-18-35;1-22-26(7-5-10-30(22)35-18-6-16-34-17-14-31(34,2)3)28-9-4-8-27(29(28)20-32)24-11-12-25-21-33-15-13-23(25)19-24;2*1-21-13-14-22(2)33(21)19-8-20-34-31-12-7-11-30(24(31)4)29-10-6-9-28(23(29)3)27-17-15-26(16-18-27)25(5)32;1-22-28(9-5-10-29(22)33-18-6-16-32-17-14-30(32,2)3)26-8-4-7-23(20-26)24-11-12-27-21-31-15-13-25(27)19-24;1-20-24(6-3-7-25(20)27-11-10-22(19-32)18-28(27)30)26-8-4-9-29(21(26)2)34-17-5-14-33-15-12-23(31)13-16-33/h5-6,9-12,16-19,24-25,35H,7-8,13-15,20-23H2,1-4H3,(H,37,38);6-7,9-14,21,27H,8,15-20,22H2,1-5H3;6-7,9-14,21,26H,8,15-20,22H2,1-5H3;2*5-6,8-11,14-17,22-23,33H,7,12-13,18-21H2,1-4H3,(H,35,36);5-6,8-13,20,25H,7,14-19,21H2,1-4H3;4-5,7-12,19,33H,6,13-18,21H2,1-3H3;2*6-7,9-12,15-18,21-22,25H,8,13-14,19-20,32H2,1-5H3;4-5,7-12,19-20,31H,6,13-18,21H2,1-3H3;3-4,6-11,18,23H,5,12-17,19,32H2,1-2H3/t24-,25-;;;2*22-,23-;;;21-,22-,25+;21-,22-,25-;;/m1..11..11../s1
InChIKeyLJUGLULJIPLYMW-BPMBBYTASA-N
MW5349.27 g/mol
LogP75.39
Rot. Bonds102

About 1-[3-chloro-4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]-N,N-dimethylmethanamine;[3-chloro-4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methanamine;6-[3-[3-[3-(2,2-dimethylazetidin-1-yl)propoxy]-2-methylphenyl]phenyl]-1,2,3,4-tetrahydroisoquinoline;2-[3-[3-(2,2-dimethylazetidin-1-yl)propoxy]-2-methylphenyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzonitrile;(1S)-1-[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]ethanamine;(1R)-1-[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]ethanamine;bis(2-[[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]acetic acid);4-[[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]butanoic acid;1-[4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-2-methoxyphenyl]-N,N-dimethylmethanamine;1-[4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-3-methoxyphenyl]-N,N-dimethylmethanamine

1-[3-chloro-4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]-N,N-dimethylmethanamine;[3-chloro-4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methanamine;6-[3-[3-[3-(2,2-dimethylazetidin-1-yl)propoxy]-2-methylphenyl]phenyl]-1,2,3,4-tetrahydroisoquinoline;2-[3-[3-(2,2-dimethylazetidin-1-yl)propoxy]-2-methylphenyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzonitrile;(1S)-1-[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]ethanamine;(1R)-1-[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]ethanamine;bis(2-[[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]acetic acid);4-[[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]butanoic acid;1-[4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-2-methoxyphenyl]-N,N-dimethylmethanamine;1-[4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-3-methoxyphenyl]-N,N-dimethylmethanamine (PubChem CID 167613457) has the molecular formula C345H429Cl2F4N23O19 and a molecular weight of 5349.27 g/mol. Its IUPAC name is 1-[3-chloro-4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]-N,N-dimethylmethanamine;[3-chloro-4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methanamine;6-[3-[3-[3-(2,2-dimethylazetidin-1-yl)propoxy]-2-methylphenyl]phenyl]-1,2,3,4-tetrahydroisoquinoline;2-[3-[3-(2,2-dimethylazetidin-1-yl)propoxy]-2-methylphenyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzonitrile;(1S)-1-[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]ethanamine;(1R)-1-[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]ethanamine;bis(2-[[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]acetic acid);4-[[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]butanoic acid;1-[4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-2-methoxyphenyl]-N,N-dimethylmethanamine;1-[4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-3-methoxyphenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]-N,N-dimethylmethanamine;[3-chloro-4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methanamine;6-[3-[3-[3-(2,2-dimethylazetidin-1-yl)propoxy]-2-methylphenyl]phenyl]-1,2,3,4-tetrahydroisoquinoline;2-[3-[3-(2,2-dimethylazetidin-1-yl)propoxy]-2-methylphenyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzonitrile;(1S)-1-[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]ethanamine;(1R)-1-[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]ethanamine;bis(2-[[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]acetic acid);4-[[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]butanoic acid;1-[4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-2-methoxyphenyl]-N,N-dimethylmethanamine;1-[4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-3-methoxyphenyl]-N,N-dimethylmethanamine
PubChem CID167613457
Molecular FormulaC345H429Cl2F4N23O19
Molecular Weight5349.27 g/mol
Exact Mass5344.26
IUPAC Name1-[3-chloro-4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]-N,N-dimethylmethanamine;[3-chloro-4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methanamine;6-[3-[3-[3-(2,2-dimethylazetidin-1-yl)propoxy]-2-methylphenyl]phenyl]-1,2,3,4-tetrahydroisoquinoline;2-[3-[3-(2,2-dimethylazetidin-1-yl)propoxy]-2-methylphenyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzonitrile;(1S)-1-[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]ethanamine;(1R)-1-[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]ethanamine;bis(2-[[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]acetic acid);4-[[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]butanoic acid;1-[4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-2-methoxyphenyl]-N,N-dimethylmethanamine;1-[4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-3-methoxyphenyl]-N,N-dimethylmethanamine
SMILESCOc1cc(-c2cccc(-c3cccc(OCCCN4CCC(F)CC4)c3C)c2C)ccc1CN(C)C.COc1cc(CN(C)C)ccc1-c1cccc(-c2cccc(OCCCN3CCC(F)CC3)c2C)c1C.Cc1c(OCCCN2CCC(F)CC2)cccc1-c1cccc(-c2ccc(CN(C)C)cc2Cl)c1C.Cc1c(OCCCN2CCC(F)CC2)cccc1-c1cccc(-c2ccc(CN)cc2Cl)c1C.Cc1c(OCCCN2CCC2(C)C)cccc1-c1cccc(-c2ccc3c(c2)CCNC3)c1.Cc1c(OCCCN2CCC2(C)C)cccc1-c1cccc(-c2ccc3c(c2)CCNC3)c1C#N.Cc1c(OCCCN2[C@H](C)CC[C@H]2C)cccc1-c1cccc(-c2ccc(CNCC(=O)O)cc2)c1C.Cc1c(OCCCN2[C@H](C)CC[C@H]2C)cccc1-c1cccc(-c2ccc(CNCC(=O)O)cc2)c1C.Cc1c(OCCCN2[C@H](C)CC[C@H]2C)cccc1-c1cccc(-c2ccc(CNCCCC(=O)O)cc2)c1C.Cc1c(OCCCN2[C@H](C)CC[C@H]2C)cccc1-c1cccc(-c2ccc([C@@H](C)N)cc2)c1C.Cc1c(OCCCN2[C@H](C)CC[C@H]2C)cccc1-c1cccc(-c2ccc([C@H](C)N)cc2)c1C
InChIInChI=1S/C34H44N2O3.2C32H41FN2O2.2C32H40N2O3.C31H38ClFN2O.C31H35N3O.2C31H40N2O.C30H36N2O.C29H34ClFN2O/c1-24-14-15-25(2)36(24)21-8-22-39-33-12-6-11-32(27(33)4)31-10-5-9-30(26(31)3)29-18-16-28(17-19-29)23-35-20-7-13-34(37)38;1-23-28(25-13-14-26(22-34(3)4)32(21-25)36-5)9-6-10-29(23)30-11-7-12-31(24(30)2)37-20-8-17-35-18-15-27(33)16-19-35;1-23-27(9-6-10-28(23)30-14-13-25(22-34(3)4)21-32(30)36-5)29-11-7-12-31(24(29)2)37-20-8-17-35-18-15-26(33)16-19-35;2*1-22-12-13-23(2)34(22)18-7-19-37-31-11-6-10-30(25(31)4)29-9-5-8-28(24(29)3)27-16-14-26(15-17-27)20-33-21-32(35)36;1-22-26(8-5-9-27(22)29-13-12-24(20-30(29)32)21-34(3)4)28-10-6-11-31(23(28)2)36-19-7-16-35-17-14-25(33)15-18-35;1-22-26(7-5-10-30(22)35-18-6-16-34-17-14-31(34,2)3)28-9-4-8-27(29(28)20-32)24-11-12-25-21-33-15-13-23(25)19-24;2*1-21-13-14-22(2)33(21)19-8-20-34-31-12-7-11-30(24(31)4)29-10-6-9-28(23(29)3)27-17-15-26(16-18-27)25(5)32;1-22-28(9-5-10-29(22)33-18-6-16-32-17-14-30(32,2)3)26-8-4-7-23(20-26)24-11-12-27-21-31-15-13-25(27)19-24;1-20-24(6-3-7-25(20)27-11-10-22(19-32)18-28(27)30)26-8-4-9-29(21(26)2)34-17-5-14-33-15-12-23(31)13-16-33/h5-6,9-12,16-19,24-25,35H,7-8,13-15,20-23H2,1-4H3,(H,37,38);6-7,9-14,21,27H,8,15-20,22H2,1-5H3;6-7,9-14,21,26H,8,15-20,22H2,1-5H3;2*5-6,8-11,14-17,22-23,33H,7,12-13,18-21H2,1-4H3,(H,35,36);5-6,8-13,20,25H,7,14-19,21H2,1-4H3;4-5,7-12,19,33H,6,13-18,21H2,1-3H3;2*6-7,9-12,15-18,21-22,25H,8,13-14,19-20,32H2,1-5H3;4-5,7-12,19-20,31H,6,13-18,21H2,1-3H3;3-4,6-11,18,23H,5,12-17,19,32H2,1-2H3/t24-,25-;;;2*22-,23-;;;21-,22-,25+;21-,22-,25-;;/m1..11..11../s1
InChIKeyLJUGLULJIPLYMW-BPMBBYTASA-N
XLogP75.39
TPSA439.25 Ų
H-Bond Donors11
H-Bond Acceptors39
Rotatable Bonds102
Heavy Atoms393
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005349.27
LogP ≤ 575.39
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1039

Analyze 1-[3-chloro-4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]-N,N-dimethylmethanamine;[3-chloro-4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methanamine;6-[3-[3-[3-(2,2-dimethylazetidin-1-yl)propoxy]-2-methylphenyl]phenyl]-1,2,3,4-tetrahydroisoquinoline;2-[3-[3-(2,2-dimethylazetidin-1-yl)propoxy]-2-methylphenyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzonitrile;(1S)-1-[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]ethanamine;(1R)-1-[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]ethanamine;bis(2-[[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]acetic acid);4-[[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]butanoic acid;1-[4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-2-methoxyphenyl]-N,N-dimethylmethanamine;1-[4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-3-methoxyphenyl]-N,N-dimethylmethanamine with MolForge

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What is the IUPAC name of 1-[3-chloro-4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]-N,N-dimethylmethanamine;[3-chloro-4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methanamine;6-[3-[3-[3-(2,2-dimethylazetidin-1-yl)propoxy]-2-methylphenyl]phenyl]-1,2,3,4-tetrahydroisoquinoline;2-[3-[3-(2,2-dimethylazetidin-1-yl)propoxy]-2-methylphenyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzonitrile;(1S)-1-[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]ethanamine;(1R)-1-[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]ethanamine;bis(2-[[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]acetic acid);4-[[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]butanoic acid;1-[4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-2-methoxyphenyl]-N,N-dimethylmethanamine;1-[4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-3-methoxyphenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-chloro-4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]-N,N-dimethylmethanamine;[3-chloro-4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methanamine;6-[3-[3-[3-(2,2-dimethylazetidin-1-yl)propoxy]-2-methylphenyl]phenyl]-1,2,3,4-tetrahydroisoquinoline;2-[3-[3-(2,2-dimethylazetidin-1-yl)propoxy]-2-methylphenyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzonitrile;(1S)-1-[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]ethanamine;(1R)-1-[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]ethanamine;bis(2-[[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]acetic acid);4-[[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]butanoic acid;1-[4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-2-methoxyphenyl]-N,N-dimethylmethanamine;1-[4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-3-methoxyphenyl]-N,N-dimethylmethanamine (CID 167613457) is 1-[3-chloro-4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]-N,N-dimethylmethanamine;[3-chloro-4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methanamine;6-[3-[3-[3-(2,2-dimethylazetidin-1-yl)propoxy]-2-methylphenyl]phenyl]-1,2,3,4-tetrahydroisoquinoline;2-[3-[3-(2,2-dimethylazetidin-1-yl)propoxy]-2-methylphenyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzonitrile;(1S)-1-[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]ethanamine;(1R)-1-[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]ethanamine;bis(2-[[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]acetic acid);4-[[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]butanoic acid;1-[4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-2-methoxyphenyl]-N,N-dimethylmethanamine;1-[4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-3-methoxyphenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-chloro-4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]-N,N-dimethylmethanamine;[3-chloro-4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methanamine;6-[3-[3-[3-(2,2-dimethylazetidin-1-yl)propoxy]-2-methylphenyl]phenyl]-1,2,3,4-tetrahydroisoquinoline;2-[3-[3-(2,2-dimethylazetidin-1-yl)propoxy]-2-methylphenyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzonitrile;(1S)-1-[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]ethanamine;(1R)-1-[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]ethanamine;bis(2-[[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]acetic acid);4-[[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]butanoic acid;1-[4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-2-methoxyphenyl]-N,N-dimethylmethanamine;1-[4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-3-methoxyphenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-chloro-4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]-N,N-dimethylmethanamine;[3-chloro-4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methanamine;6-[3-[3-[3-(2,2-dimethylazetidin-1-yl)propoxy]-2-methylphenyl]phenyl]-1,2,3,4-tetrahydroisoquinoline;2-[3-[3-(2,2-dimethylazetidin-1-yl)propoxy]-2-methylphenyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzonitrile;(1S)-1-[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]ethanamine;(1R)-1-[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]ethanamine;bis(2-[[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]acetic acid);4-[[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]butanoic acid;1-[4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-2-methoxyphenyl]-N,N-dimethylmethanamine;1-[4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-3-methoxyphenyl]-N,N-dimethylmethanamine is COc1cc(-c2cccc(-c3cccc(OCCCN4CCC(F)CC4)c3C)c2C)ccc1CN(C)C.COc1cc(CN(C)C)ccc1-c1cccc(-c2cccc(OCCCN3CCC(F)CC3)c2C)c1C.Cc1c(OCCCN2CCC(F)CC2)cccc1-c1cccc(-c2ccc(CN(C)C)cc2Cl)c1C.Cc1c(OCCCN2CCC(F)CC2)cccc1-c1cccc(-c2ccc(CN)cc2Cl)c1C.Cc1c(OCCCN2CCC2(C)C)cccc1-c1cccc(-c2ccc3c(c2)CCNC3)c1.Cc1c(OCCCN2CCC2(C)C)cccc1-c1cccc(-c2ccc3c(c2)CCNC3)c1C#N.Cc1c(OCCCN2[C@H](C)CC[C@H]2C)cccc1-c1cccc(-c2ccc(CNCC(=O)O)cc2)c1C.Cc1c(OCCCN2[C@H](C)CC[C@H]2C)cccc1-c1cccc(-c2ccc(CNCC(=O)O)cc2)c1C.Cc1c(OCCCN2[C@H](C)CC[C@H]2C)cccc1-c1cccc(-c2ccc(CNCCCC(=O)O)cc2)c1C.Cc1c(OCCCN2[C@H](C)CC[C@H]2C)cccc1-c1cccc(-c2ccc([C@@H](C)N)cc2)c1C.Cc1c(OCCCN2[C@H](C)CC[C@H]2C)cccc1-c1cccc(-c2ccc([C@H](C)N)cc2)c1C.
What is the InChIKey of 1-[3-chloro-4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]-N,N-dimethylmethanamine;[3-chloro-4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methanamine;6-[3-[3-[3-(2,2-dimethylazetidin-1-yl)propoxy]-2-methylphenyl]phenyl]-1,2,3,4-tetrahydroisoquinoline;2-[3-[3-(2,2-dimethylazetidin-1-yl)propoxy]-2-methylphenyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzonitrile;(1S)-1-[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]ethanamine;(1R)-1-[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]ethanamine;bis(2-[[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]acetic acid);4-[[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]butanoic acid;1-[4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-2-methoxyphenyl]-N,N-dimethylmethanamine;1-[4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-3-methoxyphenyl]-N,N-dimethylmethanamine?
The InChIKey is LJUGLULJIPLYMW-BPMBBYTASA-N. The full InChI is InChI=1S/C34H44N2O3.2C32H41FN2O2.2C32H40N2O3.C31H38ClFN2O.C31H35N3O.2C31H40N2O.C30H36N2O.C29H34ClFN2O/c1-24-14-15-25(2)36(24)21-8-22-39-33-12-6-11-32(27(33)4)31-10-5-9-30(26(31)3)29-18-16-28(17-19-29)23-35-20-7-13-34(37)38;1-23-28(25-13-14-26(22-34(3)4)32(21-25)36-5)9-6-10-29(23)30-11-7-12-31(24(30)2)37-20-8-17-35-18-15-27(33)16-19-35;1-23-27(9-6-10-28(23)30-14-13-25(22-34(3)4)21-32(30)36-5)29-11-7-12-31(24(29)2)37-20-8-17-35-18-15-26(33)16-19-35;2*1-22-12-13-23(2)34(22)18-7-19-37-31-11-6-10-30(25(31)4)29-9-5-8-28(24(29)3)27-16-14-26(15-17-27)20-33-21-32(35)36;1-22-26(8-5-9-27(22)29-13-12-24(20-30(29)32)21-34(3)4)28-10-6-11-31(23(28)2)36-19-7-16-35-17-14-25(33)15-18-35;1-22-26(7-5-10-30(22)35-18-6-16-34-17-14-31(34,2)3)28-9-4-8-27(29(28)20-32)24-11-12-25-21-33-15-13-23(25)19-24;2*1-21-13-14-22(2)33(21)19-8-20-34-31-12-7-11-30(24(31)4)29-10-6-9-28(23(29)3)27-17-15-26(16-18-27)25(5)32;1-22-28(9-5-10-29(22)33-18-6-16-32-17-14-30(32,2)3)26-8-4-7-23(20-26)24-11-12-27-21-31-15-13-25(27)19-24;1-20-24(6-3-7-25(20)27-11-10-22(19-32)18-28(27)30)26-8-4-9-29(21(26)2)34-17-5-14-33-15-12-23(31)13-16-33/h5-6,9-12,16-19,24-25,35H,7-8,13-15,20-23H2,1-4H3,(H,37,38);6-7,9-14,21,27H,8,15-20,22H2,1-5H3;6-7,9-14,21,26H,8,15-20,22H2,1-5H3;2*5-6,8-11,14-17,22-23,33H,7,12-13,18-21H2,1-4H3,(H,35,36);5-6,8-13,20,25H,7,14-19,21H2,1-4H3;4-5,7-12,19,33H,6,13-18,21H2,1-3H3;2*6-7,9-12,15-18,21-22,25H,8,13-14,19-20,32H2,1-5H3;4-5,7-12,19-20,31H,6,13-18,21H2,1-3H3;3-4,6-11,18,23H,5,12-17,19,32H2,1-2H3/t24-,25-;;;2*22-,23-;;;21-,22-,25+;21-,22-,25-;;/m1..11..11../s1.
What are the key properties of 1-[3-chloro-4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]-N,N-dimethylmethanamine;[3-chloro-4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methanamine;6-[3-[3-[3-(2,2-dimethylazetidin-1-yl)propoxy]-2-methylphenyl]phenyl]-1,2,3,4-tetrahydroisoquinoline;2-[3-[3-(2,2-dimethylazetidin-1-yl)propoxy]-2-methylphenyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzonitrile;(1S)-1-[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]ethanamine;(1R)-1-[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]ethanamine;bis(2-[[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]acetic acid);4-[[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]butanoic acid;1-[4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-2-methoxyphenyl]-N,N-dimethylmethanamine;1-[4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-3-methoxyphenyl]-N,N-dimethylmethanamine?
1-[3-chloro-4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]-N,N-dimethylmethanamine;[3-chloro-4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methanamine;6-[3-[3-[3-(2,2-dimethylazetidin-1-yl)propoxy]-2-methylphenyl]phenyl]-1,2,3,4-tetrahydroisoquinoline;2-[3-[3-(2,2-dimethylazetidin-1-yl)propoxy]-2-methylphenyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzonitrile;(1S)-1-[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]ethanamine;(1R)-1-[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]ethanamine;bis(2-[[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]acetic acid);4-[[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]butanoic acid;1-[4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-2-methoxyphenyl]-N,N-dimethylmethanamine;1-[4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-3-methoxyphenyl]-N,N-dimethylmethanamine has a molecular weight of 5349.27 g/mol, XLogP of 75.39, 102 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]-N,N-dimethylmethanamine;[3-chloro-4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methanamine;6-[3-[3-[3-(2,2-dimethylazetidin-1-yl)propoxy]-2-methylphenyl]phenyl]-1,2,3,4-tetrahydroisoquinoline;2-[3-[3-(2,2-dimethylazetidin-1-yl)propoxy]-2-methylphenyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzonitrile;(1S)-1-[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]ethanamine;(1R)-1-[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]ethanamine;bis(2-[[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]acetic acid);4-[[4-[3-[3-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]butanoic acid;1-[4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-2-methoxyphenyl]-N,N-dimethylmethanamine;1-[4-[3-[3-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenyl]-3-methoxyphenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 167613457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).