5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;3-(4-aminophenoxy)aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;4-[1-(4-aminophenyl)cyclohexyl]aniline;2-[2-(2-aminophenyl)ethyl]aniline;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline;3-(3-aminophenyl)sulfonylaniline;[3,5-bis(aminomethyl)phenyl]methanamine;bis(3-aminophenyl)methanone;2-chlorobenzene-1,4-diamine;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;(4-ethylphenyl)methanamine;5-fluoro-2-methylaniline;4-methylbenzene-1,3-diamine;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;3-methyl-5-(trifluoromethyl)aniline;4-nitrobenzene-1,3-diamine;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline

C303H305Cl5F27N39O10S — CID 157130679

IUPAC5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;3-(4-aminophenoxy)aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;4-[1-(4-aminophenyl)cyclohexyl]aniline;2-[2-(2-aminophenyl)ethyl]aniline;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline;3-(3-aminophenyl)sulfonylaniline;[3,5-bis(aminomethyl)phenyl]methanamine;bis(3-aminophenyl)methanone;2-chlorobenzene-1,4-diamine;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;(4-ethylphenyl)methanamine;5-fluoro-2-methylaniline;4-methylbenzene-1,3-diamine;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;3-methyl-5-(trifluoromethyl)aniline;4-nitrobenzene-1,3-diamine;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline
SMILESCCc1ccc(CN)cc1.Cc1c(F)c(F)c(-c2c(F)c(F)c(N)c(F)c2F)c(F)c1F.Cc1cc(Cl)c(-c2cc(Cl)c(N)cc2Cl)cc1Cl.Cc1cc(N)cc(C(F)(F)F)c1.Cc1ccc(-c2ccc(N)cc2C(F)(F)F)c(C)c1.Cc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(N)cc3)cc2)cc1.Cc1ccc(C(c2ccc(C)c(N)c2)(C(F)(F)F)C(F)(F)F)cc1N.Cc1ccc(F)cc1N.Cc1ccc(N)cc1N.Cc1ccc(Oc2cccc(Oc3ccc(N)cc3)c2)cc1.Cc1ccc2c(c1)Cc1cc(N)ccc1-2.NCc1cc(CN)cc(CN)c1.NCc1cccc(CN)c1.Nc1ccc(C2(c3ccc(N)cc3)CCCCC2)cc1.Nc1ccc(C2(c3ccc(N)cc3)c3ccccc3-c3ccccc32)cc1.Nc1ccc(N)c(Cl)c1.Nc1ccc(Oc2cccc(N)c2)cc1.Nc1ccc([N+](=O)[O-])c(N)c1.Nc1cccc(C(=O)c2cccc(N)c2)c1.Nc1cccc(C(c2cccc(N)c2)(C(F)(F)F)C(F)(F)F)c1.Nc1cccc(Oc2cccc(Oc3cccc(N)c3)c2)c1.Nc1cccc(S(=O)(=O)c2cccc(N)c2)c1.Nc1ccccc1CCc1ccccc1N
InChIInChI=1S/C25H20N2.C25H29N.C19H17NO2.C18H16N2O2.C18H22N2.C17H16F6N2.C15H12F6N2.C15H14F3N.C14H16N2.C14H13N.C13H9Cl4N.C13H5F8N.C13H12N2O.C12H12N2O2S.C12H12N2O.C9H15N3.C9H13N.C8H8F3N.C8H12N2.C7H8FN.C7H10N2.C6H7ClN2.C6H7N3O2/c26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25;1-18-6-8-19(9-7-18)24(2,3)20-10-12-21(13-11-20)25(4,5)22-14-16-23(26)17-15-22;1-14-5-9-16(10-6-14)21-18-3-2-4-19(13-18)22-17-11-7-15(20)8-12-17;19-13-4-1-6-15(10-13)21-17-8-3-9-18(12-17)22-16-7-2-5-14(20)11-16;19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15;1-9-3-5-11(7-13(9)24)15(16(18,19)20,17(21,22)23)12-6-4-10(2)14(25)8-12;16-14(17,18)13(15(19,20)21,9-3-1-5-11(22)7-9)10-4-2-6-12(23)8-10;1-9-3-5-12(10(2)7-9)13-6-4-11(19)8-14(13)15(16,17)18;15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16;1-9-2-4-13-10(6-9)7-11-8-12(15)3-5-14(11)13;1-6-2-10(15)7(3-9(6)14)8-4-12(17)13(18)5-11(8)16;1-2-5(14)7(16)3(8(17)6(2)15)4-9(18)11(20)13(22)12(21)10(4)19;14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10;13-9-3-1-5-11(7-9)17(15,16)12-6-2-4-10(14)8-12;13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12;10-4-7-1-8(5-11)3-9(2-7)6-12;1-2-8-3-5-9(7-10)6-4-8;1-5-2-6(8(9,10)11)4-7(12)3-5;9-5-7-2-1-3-8(4-7)6-10;2*1-5-2-3-6(8)4-7(5)9;7-5-3-4(8)1-2-6(5)9;7-4-1-2-6(9(10)11)5(8)3-4/h1-16H,26-27H2;6-17H,26H2,1-5H3;2-13H,20H2,1H3;1-12H,19-20H2;4-11H,1-3,12-13,19-20H2;3-8H,24-25H2,1-2H3;1-8H,22-23H2;3-8H,19H2,1-2H3;1-8H,9-10,15-16H2;2-6,8H,7,15H2,1H3;2-5H,18H2,1H3;22H2,1H3;1-8H,14-15H2;1-8H,13-14H2;1-8H,13-14H2;1-3H,4-6,10-12H2;3-6H,2,7,10H2,1H3;2-4H,12H2,1H3;1-4H,5-6,9-10H2;2-4H,9H2,1H3;2-4H,8-9H2,1H3;1-3H,8-9H2;1-3H,7-8H2
InChIKeyAJALRRPGKZKVAU-UHFFFAOYSA-N
MW5375.31 g/mol
LogP71.37
Rot. Bonds40

About 5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;3-(4-aminophenoxy)aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;4-[1-(4-aminophenyl)cyclohexyl]aniline;2-[2-(2-aminophenyl)ethyl]aniline;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline;3-(3-aminophenyl)sulfonylaniline;[3,5-bis(aminomethyl)phenyl]methanamine;bis(3-aminophenyl)methanone;2-chlorobenzene-1,4-diamine;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;(4-ethylphenyl)methanamine;5-fluoro-2-methylaniline;4-methylbenzene-1,3-diamine;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;3-methyl-5-(trifluoromethyl)aniline;4-nitrobenzene-1,3-diamine;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline

5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;3-(4-aminophenoxy)aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;4-[1-(4-aminophenyl)cyclohexyl]aniline;2-[2-(2-aminophenyl)ethyl]aniline;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline;3-(3-aminophenyl)sulfonylaniline;[3,5-bis(aminomethyl)phenyl]methanamine;bis(3-aminophenyl)methanone;2-chlorobenzene-1,4-diamine;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;(4-ethylphenyl)methanamine;5-fluoro-2-methylaniline;4-methylbenzene-1,3-diamine;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;3-methyl-5-(trifluoromethyl)aniline;4-nitrobenzene-1,3-diamine;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline (PubChem CID 157130679) has the molecular formula C303H305Cl5F27N39O10S and a molecular weight of 5375.31 g/mol. Its IUPAC name is 5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;3-(4-aminophenoxy)aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;4-[1-(4-aminophenyl)cyclohexyl]aniline;2-[2-(2-aminophenyl)ethyl]aniline;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline;3-(3-aminophenyl)sulfonylaniline;[3,5-bis(aminomethyl)phenyl]methanamine;bis(3-aminophenyl)methanone;2-chlorobenzene-1,4-diamine;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;(4-ethylphenyl)methanamine;5-fluoro-2-methylaniline;4-methylbenzene-1,3-diamine;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;3-methyl-5-(trifluoromethyl)aniline;4-nitrobenzene-1,3-diamine;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline.

Molecular Properties

Compound Name5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;3-(4-aminophenoxy)aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;4-[1-(4-aminophenyl)cyclohexyl]aniline;2-[2-(2-aminophenyl)ethyl]aniline;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline;3-(3-aminophenyl)sulfonylaniline;[3,5-bis(aminomethyl)phenyl]methanamine;bis(3-aminophenyl)methanone;2-chlorobenzene-1,4-diamine;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;(4-ethylphenyl)methanamine;5-fluoro-2-methylaniline;4-methylbenzene-1,3-diamine;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;3-methyl-5-(trifluoromethyl)aniline;4-nitrobenzene-1,3-diamine;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline
PubChem CID157130679
Molecular FormulaC303H305Cl5F27N39O10S
Molecular Weight5375.31 g/mol
Exact Mass5369.23
IUPAC Name5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;3-(4-aminophenoxy)aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;4-[1-(4-aminophenyl)cyclohexyl]aniline;2-[2-(2-aminophenyl)ethyl]aniline;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline;3-(3-aminophenyl)sulfonylaniline;[3,5-bis(aminomethyl)phenyl]methanamine;bis(3-aminophenyl)methanone;2-chlorobenzene-1,4-diamine;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;(4-ethylphenyl)methanamine;5-fluoro-2-methylaniline;4-methylbenzene-1,3-diamine;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;3-methyl-5-(trifluoromethyl)aniline;4-nitrobenzene-1,3-diamine;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline
SMILESCCc1ccc(CN)cc1.Cc1c(F)c(F)c(-c2c(F)c(F)c(N)c(F)c2F)c(F)c1F.Cc1cc(Cl)c(-c2cc(Cl)c(N)cc2Cl)cc1Cl.Cc1cc(N)cc(C(F)(F)F)c1.Cc1ccc(-c2ccc(N)cc2C(F)(F)F)c(C)c1.Cc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(N)cc3)cc2)cc1.Cc1ccc(C(c2ccc(C)c(N)c2)(C(F)(F)F)C(F)(F)F)cc1N.Cc1ccc(F)cc1N.Cc1ccc(N)cc1N.Cc1ccc(Oc2cccc(Oc3ccc(N)cc3)c2)cc1.Cc1ccc2c(c1)Cc1cc(N)ccc1-2.NCc1cc(CN)cc(CN)c1.NCc1cccc(CN)c1.Nc1ccc(C2(c3ccc(N)cc3)CCCCC2)cc1.Nc1ccc(C2(c3ccc(N)cc3)c3ccccc3-c3ccccc32)cc1.Nc1ccc(N)c(Cl)c1.Nc1ccc(Oc2cccc(N)c2)cc1.Nc1ccc([N+](=O)[O-])c(N)c1.Nc1cccc(C(=O)c2cccc(N)c2)c1.Nc1cccc(C(c2cccc(N)c2)(C(F)(F)F)C(F)(F)F)c1.Nc1cccc(Oc2cccc(Oc3cccc(N)c3)c2)c1.Nc1cccc(S(=O)(=O)c2cccc(N)c2)c1.Nc1ccccc1CCc1ccccc1N
InChIInChI=1S/C25H20N2.C25H29N.C19H17NO2.C18H16N2O2.C18H22N2.C17H16F6N2.C15H12F6N2.C15H14F3N.C14H16N2.C14H13N.C13H9Cl4N.C13H5F8N.C13H12N2O.C12H12N2O2S.C12H12N2O.C9H15N3.C9H13N.C8H8F3N.C8H12N2.C7H8FN.C7H10N2.C6H7ClN2.C6H7N3O2/c26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25;1-18-6-8-19(9-7-18)24(2,3)20-10-12-21(13-11-20)25(4,5)22-14-16-23(26)17-15-22;1-14-5-9-16(10-6-14)21-18-3-2-4-19(13-18)22-17-11-7-15(20)8-12-17;19-13-4-1-6-15(10-13)21-17-8-3-9-18(12-17)22-16-7-2-5-14(20)11-16;19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15;1-9-3-5-11(7-13(9)24)15(16(18,19)20,17(21,22)23)12-6-4-10(2)14(25)8-12;16-14(17,18)13(15(19,20)21,9-3-1-5-11(22)7-9)10-4-2-6-12(23)8-10;1-9-3-5-12(10(2)7-9)13-6-4-11(19)8-14(13)15(16,17)18;15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16;1-9-2-4-13-10(6-9)7-11-8-12(15)3-5-14(11)13;1-6-2-10(15)7(3-9(6)14)8-4-12(17)13(18)5-11(8)16;1-2-5(14)7(16)3(8(17)6(2)15)4-9(18)11(20)13(22)12(21)10(4)19;14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10;13-9-3-1-5-11(7-9)17(15,16)12-6-2-4-10(14)8-12;13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12;10-4-7-1-8(5-11)3-9(2-7)6-12;1-2-8-3-5-9(7-10)6-4-8;1-5-2-6(8(9,10)11)4-7(12)3-5;9-5-7-2-1-3-8(4-7)6-10;2*1-5-2-3-6(8)4-7(5)9;7-5-3-4(8)1-2-6(5)9;7-4-1-2-6(9(10)11)5(8)3-4/h1-16H,26-27H2;6-17H,26H2,1-5H3;2-13H,20H2,1H3;1-12H,19-20H2;4-11H,1-3,12-13,19-20H2;3-8H,24-25H2,1-2H3;1-8H,22-23H2;3-8H,19H2,1-2H3;1-8H,9-10,15-16H2;2-6,8H,7,15H2,1H3;2-5H,18H2,1H3;22H2,1H3;1-8H,14-15H2;1-8H,13-14H2;1-8H,13-14H2;1-3H,4-6,10-12H2;3-6H,2,7,10H2,1H3;2-4H,12H2,1H3;1-4H,5-6,9-10H2;2-4H,9H2,1H3;2-4H,8-9H2,1H3;1-3H,8-9H2;1-3H,7-8H2
InChIKeyAJALRRPGKZKVAU-UHFFFAOYSA-N
XLogP71.37
TPSA1129.26 Ų
H-Bond Donors38
H-Bond Acceptors48
Rotatable Bonds40
Heavy Atoms385
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005375.31
LogP ≤ 571.37
H-Bond Donors ≤ 538
H-Bond Acceptors ≤ 1048

Analyze 5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;3-(4-aminophenoxy)aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;4-[1-(4-aminophenyl)cyclohexyl]aniline;2-[2-(2-aminophenyl)ethyl]aniline;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline;3-(3-aminophenyl)sulfonylaniline;[3,5-bis(aminomethyl)phenyl]methanamine;bis(3-aminophenyl)methanone;2-chlorobenzene-1,4-diamine;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;(4-ethylphenyl)methanamine;5-fluoro-2-methylaniline;4-methylbenzene-1,3-diamine;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;3-methyl-5-(trifluoromethyl)aniline;4-nitrobenzene-1,3-diamine;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;3-(4-aminophenoxy)aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;4-[1-(4-aminophenyl)cyclohexyl]aniline;2-[2-(2-aminophenyl)ethyl]aniline;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline;3-(3-aminophenyl)sulfonylaniline;[3,5-bis(aminomethyl)phenyl]methanamine;bis(3-aminophenyl)methanone;2-chlorobenzene-1,4-diamine;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;(4-ethylphenyl)methanamine;5-fluoro-2-methylaniline;4-methylbenzene-1,3-diamine;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;3-methyl-5-(trifluoromethyl)aniline;4-nitrobenzene-1,3-diamine;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline?
The IUPAC name of 5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;3-(4-aminophenoxy)aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;4-[1-(4-aminophenyl)cyclohexyl]aniline;2-[2-(2-aminophenyl)ethyl]aniline;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline;3-(3-aminophenyl)sulfonylaniline;[3,5-bis(aminomethyl)phenyl]methanamine;bis(3-aminophenyl)methanone;2-chlorobenzene-1,4-diamine;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;(4-ethylphenyl)methanamine;5-fluoro-2-methylaniline;4-methylbenzene-1,3-diamine;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;3-methyl-5-(trifluoromethyl)aniline;4-nitrobenzene-1,3-diamine;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline (CID 157130679) is 5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;3-(4-aminophenoxy)aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;4-[1-(4-aminophenyl)cyclohexyl]aniline;2-[2-(2-aminophenyl)ethyl]aniline;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline;3-(3-aminophenyl)sulfonylaniline;[3,5-bis(aminomethyl)phenyl]methanamine;bis(3-aminophenyl)methanone;2-chlorobenzene-1,4-diamine;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;(4-ethylphenyl)methanamine;5-fluoro-2-methylaniline;4-methylbenzene-1,3-diamine;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;3-methyl-5-(trifluoromethyl)aniline;4-nitrobenzene-1,3-diamine;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline.
What is the SMILES notation for 5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;3-(4-aminophenoxy)aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;4-[1-(4-aminophenyl)cyclohexyl]aniline;2-[2-(2-aminophenyl)ethyl]aniline;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline;3-(3-aminophenyl)sulfonylaniline;[3,5-bis(aminomethyl)phenyl]methanamine;bis(3-aminophenyl)methanone;2-chlorobenzene-1,4-diamine;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;(4-ethylphenyl)methanamine;5-fluoro-2-methylaniline;4-methylbenzene-1,3-diamine;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;3-methyl-5-(trifluoromethyl)aniline;4-nitrobenzene-1,3-diamine;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline?
The canonical SMILES for 5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;3-(4-aminophenoxy)aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;4-[1-(4-aminophenyl)cyclohexyl]aniline;2-[2-(2-aminophenyl)ethyl]aniline;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline;3-(3-aminophenyl)sulfonylaniline;[3,5-bis(aminomethyl)phenyl]methanamine;bis(3-aminophenyl)methanone;2-chlorobenzene-1,4-diamine;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;(4-ethylphenyl)methanamine;5-fluoro-2-methylaniline;4-methylbenzene-1,3-diamine;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;3-methyl-5-(trifluoromethyl)aniline;4-nitrobenzene-1,3-diamine;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline is CCc1ccc(CN)cc1.Cc1c(F)c(F)c(-c2c(F)c(F)c(N)c(F)c2F)c(F)c1F.Cc1cc(Cl)c(-c2cc(Cl)c(N)cc2Cl)cc1Cl.Cc1cc(N)cc(C(F)(F)F)c1.Cc1ccc(-c2ccc(N)cc2C(F)(F)F)c(C)c1.Cc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(N)cc3)cc2)cc1.Cc1ccc(C(c2ccc(C)c(N)c2)(C(F)(F)F)C(F)(F)F)cc1N.Cc1ccc(F)cc1N.Cc1ccc(N)cc1N.Cc1ccc(Oc2cccc(Oc3ccc(N)cc3)c2)cc1.Cc1ccc2c(c1)Cc1cc(N)ccc1-2.NCc1cc(CN)cc(CN)c1.NCc1cccc(CN)c1.Nc1ccc(C2(c3ccc(N)cc3)CCCCC2)cc1.Nc1ccc(C2(c3ccc(N)cc3)c3ccccc3-c3ccccc32)cc1.Nc1ccc(N)c(Cl)c1.Nc1ccc(Oc2cccc(N)c2)cc1.Nc1ccc([N+](=O)[O-])c(N)c1.Nc1cccc(C(=O)c2cccc(N)c2)c1.Nc1cccc(C(c2cccc(N)c2)(C(F)(F)F)C(F)(F)F)c1.Nc1cccc(Oc2cccc(Oc3cccc(N)c3)c2)c1.Nc1cccc(S(=O)(=O)c2cccc(N)c2)c1.Nc1ccccc1CCc1ccccc1N.
What is the InChIKey of 5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;3-(4-aminophenoxy)aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;4-[1-(4-aminophenyl)cyclohexyl]aniline;2-[2-(2-aminophenyl)ethyl]aniline;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline;3-(3-aminophenyl)sulfonylaniline;[3,5-bis(aminomethyl)phenyl]methanamine;bis(3-aminophenyl)methanone;2-chlorobenzene-1,4-diamine;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;(4-ethylphenyl)methanamine;5-fluoro-2-methylaniline;4-methylbenzene-1,3-diamine;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;3-methyl-5-(trifluoromethyl)aniline;4-nitrobenzene-1,3-diamine;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline?
The InChIKey is AJALRRPGKZKVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2.C25H29N.C19H17NO2.C18H16N2O2.C18H22N2.C17H16F6N2.C15H12F6N2.C15H14F3N.C14H16N2.C14H13N.C13H9Cl4N.C13H5F8N.C13H12N2O.C12H12N2O2S.C12H12N2O.C9H15N3.C9H13N.C8H8F3N.C8H12N2.C7H8FN.C7H10N2.C6H7ClN2.C6H7N3O2/c26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25;1-18-6-8-19(9-7-18)24(2,3)20-10-12-21(13-11-20)25(4,5)22-14-16-23(26)17-15-22;1-14-5-9-16(10-6-14)21-18-3-2-4-19(13-18)22-17-11-7-15(20)8-12-17;19-13-4-1-6-15(10-13)21-17-8-3-9-18(12-17)22-16-7-2-5-14(20)11-16;19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15;1-9-3-5-11(7-13(9)24)15(16(18,19)20,17(21,22)23)12-6-4-10(2)14(25)8-12;16-14(17,18)13(15(19,20)21,9-3-1-5-11(22)7-9)10-4-2-6-12(23)8-10;1-9-3-5-12(10(2)7-9)13-6-4-11(19)8-14(13)15(16,17)18;15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16;1-9-2-4-13-10(6-9)7-11-8-12(15)3-5-14(11)13;1-6-2-10(15)7(3-9(6)14)8-4-12(17)13(18)5-11(8)16;1-2-5(14)7(16)3(8(17)6(2)15)4-9(18)11(20)13(22)12(21)10(4)19;14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10;13-9-3-1-5-11(7-9)17(15,16)12-6-2-4-10(14)8-12;13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12;10-4-7-1-8(5-11)3-9(2-7)6-12;1-2-8-3-5-9(7-10)6-4-8;1-5-2-6(8(9,10)11)4-7(12)3-5;9-5-7-2-1-3-8(4-7)6-10;2*1-5-2-3-6(8)4-7(5)9;7-5-3-4(8)1-2-6(5)9;7-4-1-2-6(9(10)11)5(8)3-4/h1-16H,26-27H2;6-17H,26H2,1-5H3;2-13H,20H2,1H3;1-12H,19-20H2;4-11H,1-3,12-13,19-20H2;3-8H,24-25H2,1-2H3;1-8H,22-23H2;3-8H,19H2,1-2H3;1-8H,9-10,15-16H2;2-6,8H,7,15H2,1H3;2-5H,18H2,1H3;22H2,1H3;1-8H,14-15H2;1-8H,13-14H2;1-8H,13-14H2;1-3H,4-6,10-12H2;3-6H,2,7,10H2,1H3;2-4H,12H2,1H3;1-4H,5-6,9-10H2;2-4H,9H2,1H3;2-4H,8-9H2,1H3;1-3H,8-9H2;1-3H,7-8H2.
What are the key properties of 5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;3-(4-aminophenoxy)aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;4-[1-(4-aminophenyl)cyclohexyl]aniline;2-[2-(2-aminophenyl)ethyl]aniline;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline;3-(3-aminophenyl)sulfonylaniline;[3,5-bis(aminomethyl)phenyl]methanamine;bis(3-aminophenyl)methanone;2-chlorobenzene-1,4-diamine;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;(4-ethylphenyl)methanamine;5-fluoro-2-methylaniline;4-methylbenzene-1,3-diamine;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;3-methyl-5-(trifluoromethyl)aniline;4-nitrobenzene-1,3-diamine;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline?
5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;3-(4-aminophenoxy)aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;4-[1-(4-aminophenyl)cyclohexyl]aniline;2-[2-(2-aminophenyl)ethyl]aniline;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline;3-(3-aminophenyl)sulfonylaniline;[3,5-bis(aminomethyl)phenyl]methanamine;bis(3-aminophenyl)methanone;2-chlorobenzene-1,4-diamine;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;(4-ethylphenyl)methanamine;5-fluoro-2-methylaniline;4-methylbenzene-1,3-diamine;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;3-methyl-5-(trifluoromethyl)aniline;4-nitrobenzene-1,3-diamine;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline has a molecular weight of 5375.31 g/mol, XLogP of 71.37, 40 rotatable bonds, 38 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;3-(4-aminophenoxy)aniline;3-[3-(3-aminophenoxy)phenoxy]aniline;4-[1-(4-aminophenyl)cyclohexyl]aniline;2-[2-(2-aminophenyl)ethyl]aniline;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline;3-(3-aminophenyl)sulfonylaniline;[3,5-bis(aminomethyl)phenyl]methanamine;bis(3-aminophenyl)methanone;2-chlorobenzene-1,4-diamine;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;(4-ethylphenyl)methanamine;5-fluoro-2-methylaniline;4-methylbenzene-1,3-diamine;7-methyl-9H-fluoren-2-amine;4-[3-(4-methylphenoxy)phenoxy]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;3-methyl-5-(trifluoromethyl)aniline;4-nitrobenzene-1,3-diamine;2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)aniline is sourced from PubChem (CID 157130679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).