4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol

C172H252ClF17N14O5 — CID 159053491

IUPAC4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
SMILESCC(C)(C)c1cc(CN2CC[C@@H](O)C2)cc(C(F)(F)F)c1.CC(C)(C)c1ccc(CN2CCN(CCF)CC2)c(C(F)(F)F)c1.CC(C)(C)c1ccc(CN2CCOCC2)c(Cl)c1.CC(C)Oc1c(F)cccc1C(C)(C)C.CC1CN(Cc2ccc(C(C)(C)C)cc2C(F)(F)F)CCN1.CCN1CCCC1CNC(=O)c1ccc(C(C)(C)C)cc1.CN1CCCN(Cc2ccc(C(C)(C)C)cc2C(F)(F)F)CC1.CN1CCN(Cc2cc(C3CC3)cc(C(C)(C)C)c2)CC1.CN1CCN(Cc2ccc(C(C)(C)C)cc2C(F)(F)F)CC1.Cc1ccc(OCc2cccc(C(C)(C)C)c2)c(C(C)C)c1
InChIInChI=1S/C21H28O.C19H30N2.C18H26F4N2.C18H27F3N2.C18H28N2O.2C17H25F3N2.C16H22F3NO.C15H22ClNO.C13H19FO/c1-15(2)19-12-16(3)10-11-20(19)22-14-17-8-7-9-18(13-17)21(4,5)6;1-19(2,3)18-12-15(11-17(13-18)16-5-6-16)14-21-9-7-20(4)8-10-21;1-17(2,3)15-5-4-14(16(12-15)18(20,21)22)13-24-10-8-23(7-6-19)9-11-24;1-17(2,3)15-7-6-14(16(12-15)18(19,20)21)13-23-9-5-8-22(4)10-11-23;1-5-20-12-6-7-16(20)13-19-17(21)14-8-10-15(11-9-14)18(2,3)4;1-16(2,3)14-6-5-13(15(11-14)17(18,19)20)12-22-9-7-21(4)8-10-22;1-12-10-22(8-7-21-12)11-13-5-6-14(16(2,3)4)9-15(13)17(18,19)20;1-15(2,3)12-6-11(7-13(8-12)16(17,18)19)9-20-5-4-14(21)10-20;1-15(2,3)13-5-4-12(14(16)10-13)11-17-6-8-18-9-7-17;1-9(2)15-12-10(13(3,4)5)7-6-8-11(12)14/h7-13,15H,14H2,1-6H3;11-13,16H,5-10,14H2,1-4H3;4-5,12H,6-11,13H2,1-3H3;6-7,12H,5,8-11,13H2,1-4H3;8-11,16H,5-7,12-13H2,1-4H3,(H,19,21);5-6,11H,7-10,12H2,1-4H3;5-6,9,12,21H,7-8,10-11H2,1-4H3;6-8,14,21H,4-5,9-10H2,1-3H3;4-5,10H,6-9,11H2,1-3H3;6-9H,1-5H3/t;;;;;;;14-;;/m.......1../s1
InChIKeyJXONMWWEBGIYDY-IAKOPCHXSA-N
MW2954.42 g/mol
LogP39.53
Rot. Bonds27

About 4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol

4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol (PubChem CID 159053491) has the molecular formula C172H252ClF17N14O5 and a molecular weight of 2954.42 g/mol. Its IUPAC name is 4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
PubChem CID159053491
Molecular FormulaC172H252ClF17N14O5
Molecular Weight2954.42 g/mol
Exact Mass2951.93
IUPAC Name4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
SMILESCC(C)(C)c1cc(CN2CC[C@@H](O)C2)cc(C(F)(F)F)c1.CC(C)(C)c1ccc(CN2CCN(CCF)CC2)c(C(F)(F)F)c1.CC(C)(C)c1ccc(CN2CCOCC2)c(Cl)c1.CC(C)Oc1c(F)cccc1C(C)(C)C.CC1CN(Cc2ccc(C(C)(C)C)cc2C(F)(F)F)CCN1.CCN1CCCC1CNC(=O)c1ccc(C(C)(C)C)cc1.CN1CCCN(Cc2ccc(C(C)(C)C)cc2C(F)(F)F)CC1.CN1CCN(Cc2cc(C3CC3)cc(C(C)(C)C)c2)CC1.CN1CCN(Cc2ccc(C(C)(C)C)cc2C(F)(F)F)CC1.Cc1ccc(OCc2cccc(C(C)(C)C)c2)c(C(C)C)c1
InChIInChI=1S/C21H28O.C19H30N2.C18H26F4N2.C18H27F3N2.C18H28N2O.2C17H25F3N2.C16H22F3NO.C15H22ClNO.C13H19FO/c1-15(2)19-12-16(3)10-11-20(19)22-14-17-8-7-9-18(13-17)21(4,5)6;1-19(2,3)18-12-15(11-17(13-18)16-5-6-16)14-21-9-7-20(4)8-10-21;1-17(2,3)15-5-4-14(16(12-15)18(20,21)22)13-24-10-8-23(7-6-19)9-11-24;1-17(2,3)15-7-6-14(16(12-15)18(19,20)21)13-23-9-5-8-22(4)10-11-23;1-5-20-12-6-7-16(20)13-19-17(21)14-8-10-15(11-9-14)18(2,3)4;1-16(2,3)14-6-5-13(15(11-14)17(18,19)20)12-22-9-7-21(4)8-10-22;1-12-10-22(8-7-21-12)11-13-5-6-14(16(2,3)4)9-15(13)17(18,19)20;1-15(2,3)12-6-11(7-13(8-12)16(17,18)19)9-20-5-4-14(21)10-20;1-15(2,3)13-5-4-12(14(16)10-13)11-17-6-8-18-9-7-17;1-9(2)15-12-10(13(3,4)5)7-6-8-11(12)14/h7-13,15H,14H2,1-6H3;11-13,16H,5-10,14H2,1-4H3;4-5,12H,6-11,13H2,1-3H3;6-7,12H,5,8-11,13H2,1-4H3;8-11,16H,5-7,12-13H2,1-4H3,(H,19,21);5-6,11H,7-10,12H2,1-4H3;5-6,9,12,21H,7-8,10-11H2,1-4H3;6-8,14,21H,4-5,9-10H2,1-3H3;4-5,10H,6-9,11H2,1-3H3;6-9H,1-5H3/t;;;;;;;14-;;/m.......1../s1
InChIKeyJXONMWWEBGIYDY-IAKOPCHXSA-N
XLogP39.53
TPSA127.93 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds27
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002954.42
LogP ≤ 539.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;4-(4-tert-butylphenyl)morpholine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine
CID 157329775
1-[(4-tert-butyl-2-chlorophenyl)methyl]-4-methyl-1,4-diazepane;4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;(5-tert-butyl-2-fluorophenyl)-pyrrolidin-1-ylmethanone;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;N-(3-tert-butylphenyl)methanesulfonamide;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine;N-(2-hydroxyethyl)-2-propan-2-ylbenzamide
CID 158808618
4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;1-(5-tert-butyl-2-fluorophenyl)-2-phenylethanone;(5-tert-butyl-2-fluorophenyl)-pyrrolidin-1-ylmethanone;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;N-(3-tert-butylphenyl)methanesulfonamide;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine;fluoromethane;N-(2-hydroxyethyl)-2-propan-2-ylbenzamide
CID 159136192
1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
CID 159423082
1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
CID 159760670
1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
CID 160819183
4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
CID 160968356
tert-butylbenzene;2-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;tert-butylcyclopropane;1-tert-butyl-2-fluorobenzene;(2-tert-butyl-4-fluorophenyl)methanamine;1-tert-butyl-2-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;(2-tert-butylphenyl)methanamine;1-tert-butyl-2-propylbenzene;1-tert-butylpyrrolidine;N,N-diethylpropan-2-amine;2,2-dimethylpropanenitrile;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,2-dimethyl-N-propan-2-ylpropan-1-amine;1,2-di(propan-2-yl)benzene;1,4-di(propan-2-yl)piperazine;N-ethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylcyclopropanamine;2-propan-2-yloxypropane;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidine;N-propan-2-ylpropan-2-amine;2,2,3-trimethylbutane
CID 158368435
4-[(4-Tert-butyl-2-chlorophenyl)methyl]-1-methylpiperidine;4-tert-butyl-1-(cyclohexylmethyl)-2-fluorobenzene;4-(4-tert-butyl-2-fluorophenoxy)-1-methylpiperidine;4-[(4-tert-butyl-2-fluorophenyl)methyl]-1-methylpiperidine;4-[(4-tert-butyl-2-fluorophenyl)methyl]oxane;(4-tert-butyl-2-fluorophenyl)-(4-methylpiperazin-1-yl)methanone;1-[4-[(4-tert-butyl-2-fluorophenyl)methyl]piperidin-1-yl]ethanone;4-[(4-tert-butyl-2-fluorophenyl)methyl]-1-propan-2-ylpiperidine;4-[(4-tert-butyl-2-methylphenyl)methyl]-1-methylpiperidine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 160315079

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol?
The IUPAC name of 4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol (CID 159053491) is 4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol is CC(C)(C)c1cc(CN2CC[C@@H](O)C2)cc(C(F)(F)F)c1.CC(C)(C)c1ccc(CN2CCN(CCF)CC2)c(C(F)(F)F)c1.CC(C)(C)c1ccc(CN2CCOCC2)c(Cl)c1.CC(C)Oc1c(F)cccc1C(C)(C)C.CC1CN(Cc2ccc(C(C)(C)C)cc2C(F)(F)F)CCN1.CCN1CCCC1CNC(=O)c1ccc(C(C)(C)C)cc1.CN1CCCN(Cc2ccc(C(C)(C)C)cc2C(F)(F)F)CC1.CN1CCN(Cc2cc(C3CC3)cc(C(C)(C)C)c2)CC1.CN1CCN(Cc2ccc(C(C)(C)C)cc2C(F)(F)F)CC1.Cc1ccc(OCc2cccc(C(C)(C)C)c2)c(C(C)C)c1.
What is the InChIKey of 4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol?
The InChIKey is JXONMWWEBGIYDY-IAKOPCHXSA-N. The full InChI is InChI=1S/C21H28O.C19H30N2.C18H26F4N2.C18H27F3N2.C18H28N2O.2C17H25F3N2.C16H22F3NO.C15H22ClNO.C13H19FO/c1-15(2)19-12-16(3)10-11-20(19)22-14-17-8-7-9-18(13-17)21(4,5)6;1-19(2,3)18-12-15(11-17(13-18)16-5-6-16)14-21-9-7-20(4)8-10-21;1-17(2,3)15-5-4-14(16(12-15)18(20,21)22)13-24-10-8-23(7-6-19)9-11-24;1-17(2,3)15-7-6-14(16(12-15)18(19,20)21)13-23-9-5-8-22(4)10-11-23;1-5-20-12-6-7-16(20)13-19-17(21)14-8-10-15(11-9-14)18(2,3)4;1-16(2,3)14-6-5-13(15(11-14)17(18,19)20)12-22-9-7-21(4)8-10-22;1-12-10-22(8-7-21-12)11-13-5-6-14(16(2,3)4)9-15(13)17(18,19)20;1-15(2,3)12-6-11(7-13(8-12)16(17,18)19)9-20-5-4-14(21)10-20;1-15(2,3)13-5-4-12(14(16)10-13)11-17-6-8-18-9-7-17;1-9(2)15-12-10(13(3,4)5)7-6-8-11(12)14/h7-13,15H,14H2,1-6H3;11-13,16H,5-10,14H2,1-4H3;4-5,12H,6-11,13H2,1-3H3;6-7,12H,5,8-11,13H2,1-4H3;8-11,16H,5-7,12-13H2,1-4H3,(H,19,21);5-6,11H,7-10,12H2,1-4H3;5-6,9,12,21H,7-8,10-11H2,1-4H3;6-8,14,21H,4-5,9-10H2,1-3H3;4-5,10H,6-9,11H2,1-3H3;6-9H,1-5H3/t;;;;;;;14-;;/m.......1../s1.
What are the key properties of 4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol?
4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol has a molecular weight of 2954.42 g/mol, XLogP of 39.53, 27 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;4-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide;1-tert-butyl-3-fluoro-2-propan-2-yloxybenzene;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 159053491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).