[3-(aminomethyl)-5-ethylphenyl]methanamine;5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;(3-aminophenyl)-(3-methylphenyl)methanone;3-chloro-4-methylaniline;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;(4-ethylphenyl)methanamine;5-fluoro-2-methylaniline;3-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]aniline;methane;bis(4-methylbenzene-1,3-diamine);3-(4-methylphenoxy)aniline;3-(3-methylphenyl)sulfonylaniline;3-methyl-5-(trifluoromethyl)aniline

C165H180Cl5F19N20O4S — CID 160618393

About [3-(aminomethyl)-5-ethylphenyl]methanamine;5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;(3-aminophenyl)-(3-methylphenyl)methanone;3-chloro-4-methylaniline;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;(4-ethylphenyl)methanamine;5-fluoro-2-methylaniline;3-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]aniline;methane;bis(4-methylbenzene-1,3-diamine);3-(4-methylphenoxy)aniline;3-(3-methylphenyl)sulfonylaniline;3-methyl-5-(trifluoromethyl)aniline

[3-(aminomethyl)-5-ethylphenyl]methanamine;5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;(3-aminophenyl)-(3-methylphenyl)methanone;3-chloro-4-methylaniline;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;(4-ethylphenyl)methanamine;5-fluoro-2-methylaniline;3-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]aniline;methane;bis(4-methylbenzene-1,3-diamine);3-(4-methylphenoxy)aniline;3-(3-methylphenyl)sulfonylaniline;3-methyl-5-(trifluoromethyl)aniline (PubChem CID 160618393) has the molecular formula C165H180Cl5F19N20O4S and a molecular weight of 3077.68 g/mol. Its IUPAC name is [3-(aminomethyl)-5-ethylphenyl]methanamine;5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;(3-aminophenyl)-(3-methylphenyl)methanone;3-chloro-4-methylaniline;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;(4-ethylphenyl)methanamine;5-fluoro-2-methylaniline;3-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]aniline;methane;bis(4-methylbenzene-1,3-diamine);3-(4-methylphenoxy)aniline;3-(3-methylphenyl)sulfonylaniline;3-methyl-5-(trifluoromethyl)aniline.

Molecular Properties

• Compound Name: [3-(aminomethyl)-5-ethylphenyl]methanamine;5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;(3-aminophenyl)-(3-methylphenyl)methanone;3-chloro-4-methylaniline;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;(4-ethylphenyl)methanamine;5-fluoro-2-methylaniline;3-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]aniline;methane;bis(4-methylbenzene-1,3-diamine);3-(4-methylphenoxy)aniline;3-(3-methylphenyl)sulfonylaniline;3-methyl-5-(trifluoromethyl)aniline
• PubChem CID: 160618393
• Molecular Formula: C165H180Cl5F19N20O4S
• Molecular Weight: 3077.68 g/mol
• Exact Mass: 3073.24
• IUPAC Name: [3-(aminomethyl)-5-ethylphenyl]methanamine;5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;(3-aminophenyl)-(3-methylphenyl)methanone;3-chloro-4-methylaniline;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;(4-ethylphenyl)methanamine;5-fluoro-2-methylaniline;3-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]aniline;methane;bis(4-methylbenzene-1,3-diamine);3-(4-methylphenoxy)aniline;3-(3-methylphenyl)sulfonylaniline;3-methyl-5-(trifluoromethyl)aniline
• SMILES: C.CCc1cc(CN)cc(CN)c1.CCc1ccc(CN)cc1.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(c2ccc(C)c(N)c2)(C(F)(F)F)C(F)(F)F)cc1N.Cc1ccc(F)cc1N.Cc1ccc(N)cc1Cl.Cc1ccc(N)cc1N.Cc1ccc(N)cc1N.Cc1ccc(Oc2cccc(N)c2)cc1.Cc1cccc(C(=O)c2cccc(N)c2)c1.Cc1cccc(C(c2cccc(N)c2)(C(F)(F)F)C(F)(F)F)c1.Cc1cccc(S(=O)(=O)c2cccc(N)c2)c1.NCc1cccc(CN)c1
• InChI: InChI=1S/C17H16F6N2.C16H13F6N.C15H14F3N.C14H13NO.C13H9Cl4N.C13H13NO2S.C13H13NO.C10H16N2.C9H13N.C8H8F3N.C8H12N2.C7H8ClN.C7H8FN.2C7H10N2.CH4/c1-9-3-5-11(7-13(9)24)15(16(18,19)20,17(21,22)23)12-6-4-10(2)14(25)8-12;1-10-4-2-5-11(8-10)14(15(17,18)19,16(20,21)22)12-6-3-7-13(23)9-12;1-9-3-5-12(10(2)7-9)13-6-4-11(19)8-14(13)15(16,17)18;1-10-4-2-5-11(8-10)14(16)12-6-3-7-13(15)9-12;1-6-2-10(15)7(3-9(6)14)8-4-12(17)13(18)5-11(8)16;1-10-4-2-6-12(8-10)17(15,16)13-7-3-5-11(14)9-13;1-10-5-7-12(8-6-10)15-13-4-2-3-11(14)9-13;1-2-8-3-9(6-11)5-10(4-8)7-12;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;1-5-2-3-6(9)4-7(5)8;3*1-5-2-3-6(8)4-7(5)9;/h3-8H,24-25H2,1-2H3;2-9H,23H2,1H3;3-8H,19H2,1-2H3;2-9H,15H2,1H3;2-5H,18H2,1H3;2-9H,14H2,1H3;2-9H,14H2,1H3;3-5H,2,6-7,11-12H2,1H3;3-6H,2,7,10H2,1H3;2-4H,12H2,1H3;1-4H,5-6,9-10H2;2*2-4H,9H2,1H3;2*2-4H,8-9H2,1H3;1H4
• InChIKey: RGJQVJZRQUQZAG-UHFFFAOYSA-N
• XLogP: 41.86
• TPSA: 580.84 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3077.68
LogP ≤ 5	41.86
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-5-ethylphenyl]methanamine;5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;(3-aminophenyl)-(3-methylphenyl)methanone;3-chloro-4-methylaniline;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;(4-ethylphenyl)methanamine;5-fluoro-2-methylaniline;3-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]aniline;methane;bis(4-methylbenzene-1,3-diamine);3-(4-methylphenoxy)aniline;3-(3-methylphenyl)sulfonylaniline;3-methyl-5-(trifluoromethyl)aniline?

The IUPAC name of [3-(aminomethyl)-5-ethylphenyl]methanamine;5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;(3-aminophenyl)-(3-methylphenyl)methanone;3-chloro-4-methylaniline;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;(4-ethylphenyl)methanamine;5-fluoro-2-methylaniline;3-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]aniline;methane;bis(4-methylbenzene-1,3-diamine);3-(4-methylphenoxy)aniline;3-(3-methylphenyl)sulfonylaniline;3-methyl-5-(trifluoromethyl)aniline (CID 160618393) is [3-(aminomethyl)-5-ethylphenyl]methanamine;5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;(3-aminophenyl)-(3-methylphenyl)methanone;3-chloro-4-methylaniline;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;(4-ethylphenyl)methanamine;5-fluoro-2-methylaniline;3-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]aniline;methane;bis(4-methylbenzene-1,3-diamine);3-(4-methylphenoxy)aniline;3-(3-methylphenyl)sulfonylaniline;3-methyl-5-(trifluoromethyl)aniline.

What is the SMILES notation for [3-(aminomethyl)-5-ethylphenyl]methanamine;5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;(3-aminophenyl)-(3-methylphenyl)methanone;3-chloro-4-methylaniline;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;(4-ethylphenyl)methanamine;5-fluoro-2-methylaniline;3-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]aniline;methane;bis(4-methylbenzene-1,3-diamine);3-(4-methylphenoxy)aniline;3-(3-methylphenyl)sulfonylaniline;3-methyl-5-(trifluoromethyl)aniline?

The canonical SMILES for [3-(aminomethyl)-5-ethylphenyl]methanamine;5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;(3-aminophenyl)-(3-methylphenyl)methanone;3-chloro-4-methylaniline;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;(4-ethylphenyl)methanamine;5-fluoro-2-methylaniline;3-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]aniline;methane;bis(4-methylbenzene-1,3-diamine);3-(4-methylphenoxy)aniline;3-(3-methylphenyl)sulfonylaniline;3-methyl-5-(trifluoromethyl)aniline is C.CCc1cc(CN)cc(CN)c1.CCc1ccc(CN)cc1.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(c2ccc(C)c(N)c2)(C(F)(F)F)C(F)(F)F)cc1N.Cc1ccc(F)cc1N.Cc1ccc(N)cc1Cl.Cc1ccc(N)cc1N.Cc1ccc(N)cc1N.Cc1ccc(Oc2cccc(N)c2)cc1.Cc1cccc(C(=O)c2cccc(N)c2)c1.Cc1cccc(C(c2cccc(N)c2)(C(F)(F)F)C(F)(F)F)c1.Cc1cccc(S(=O)(=O)c2cccc(N)c2)c1.NCc1cccc(CN)c1.

What is the InChIKey of [3-(aminomethyl)-5-ethylphenyl]methanamine;5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;(3-aminophenyl)-(3-methylphenyl)methanone;3-chloro-4-methylaniline;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;(4-ethylphenyl)methanamine;5-fluoro-2-methylaniline;3-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]aniline;methane;bis(4-methylbenzene-1,3-diamine);3-(4-methylphenoxy)aniline;3-(3-methylphenyl)sulfonylaniline;3-methyl-5-(trifluoromethyl)aniline?

The InChIKey is RGJQVJZRQUQZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F6N2.C16H13F6N.C15H14F3N.C14H13NO.C13H9Cl4N.C13H13NO2S.C13H13NO.C10H16N2.C9H13N.C8H8F3N.C8H12N2.C7H8ClN.C7H8FN.2C7H10N2.CH4/c1-9-3-5-11(7-13(9)24)15(16(18,19)20,17(21,22)23)12-6-4-10(2)14(25)8-12;1-10-4-2-5-11(8-10)14(15(17,18)19,16(20,21)22)12-6-3-7-13(23)9-12;1-9-3-5-12(10(2)7-9)13-6-4-11(19)8-14(13)15(16,17)18;1-10-4-2-5-11(8-10)14(16)12-6-3-7-13(15)9-12;1-6-2-10(15)7(3-9(6)14)8-4-12(17)13(18)5-11(8)16;1-10-4-2-6-12(8-10)17(15,16)13-7-3-5-11(14)9-13;1-10-5-7-12(8-6-10)15-13-4-2-3-11(14)9-13;1-2-8-3-9(6-11)5-10(4-8)7-12;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;1-5-2-3-6(9)4-7(5)8;3*1-5-2-3-6(8)4-7(5)9;/h3-8H,24-25H2,1-2H3;2-9H,23H2,1H3;3-8H,19H2,1-2H3;2-9H,15H2,1H3;2-5H,18H2,1H3;2-9H,14H2,1H3;2-9H,14H2,1H3;3-5H,2,6-7,11-12H2,1H3;3-6H,2,7,10H2,1H3;2-4H,12H2,1H3;1-4H,5-6,9-10H2;2*2-4H,9H2,1H3;2*2-4H,8-9H2,1H3;1H4.

What are the key properties of [3-(aminomethyl)-5-ethylphenyl]methanamine;5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;(3-aminophenyl)-(3-methylphenyl)methanone;3-chloro-4-methylaniline;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;(4-ethylphenyl)methanamine;5-fluoro-2-methylaniline;3-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]aniline;methane;bis(4-methylbenzene-1,3-diamine);3-(4-methylphenoxy)aniline;3-(3-methylphenyl)sulfonylaniline;3-methyl-5-(trifluoromethyl)aniline?

[3-(aminomethyl)-5-ethylphenyl]methanamine;5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;(3-aminophenyl)-(3-methylphenyl)methanone;3-chloro-4-methylaniline;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;(4-ethylphenyl)methanamine;5-fluoro-2-methylaniline;3-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]aniline;methane;bis(4-methylbenzene-1,3-diamine);3-(4-methylphenoxy)aniline;3-(3-methylphenyl)sulfonylaniline;3-methyl-5-(trifluoromethyl)aniline has a molecular weight of 3077.68 g/mol, XLogP of 41.86, 19 rotatable bonds, 20 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(aminomethyl)-5-ethylphenyl]methanamine;5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;(3-aminophenyl)-(3-methylphenyl)methanone;3-chloro-4-methylaniline;2,5-dichloro-4-(2,5-dichloro-4-methylphenyl)aniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;(4-ethylphenyl)methanamine;5-fluoro-2-methylaniline;3-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]aniline;methane;bis(4-methylbenzene-1,3-diamine);3-(4-methylphenoxy)aniline;3-(3-methylphenyl)sulfonylaniline;3-methyl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 160618393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).