5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;[4-(aminomethyl)phenyl]methanamine;3-(4-aminophenoxy)aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline;3-(3-aminophenyl)sulfonylaniline;4-[4-amino-2-(trifluoromethyl)phenyl]-3-methylaniline;[3,5-bis(aminomethyl)phenyl]methanamine;bis(3-aminophenyl)methanone;4-chlorobenzene-1,3-diamine;3-chloro-4-methylaniline;4-fluorobenzene-1,2-diamine;4-methylbenzene-1,3-diamine;5-(trifluoromethyl)benzene-1,3-diamine

C141H155Cl2F19N28O4S — CID 159453253

About 5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;[4-(aminomethyl)phenyl]methanamine;3-(4-aminophenoxy)aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline;3-(3-aminophenyl)sulfonylaniline;4-[4-amino-2-(trifluoromethyl)phenyl]-3-methylaniline;[3,5-bis(aminomethyl)phenyl]methanamine;bis(3-aminophenyl)methanone;4-chlorobenzene-1,3-diamine;3-chloro-4-methylaniline;4-fluorobenzene-1,2-diamine;4-methylbenzene-1,3-diamine;5-(trifluoromethyl)benzene-1,3-diamine

5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;[4-(aminomethyl)phenyl]methanamine;3-(4-aminophenoxy)aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline;3-(3-aminophenyl)sulfonylaniline;4-[4-amino-2-(trifluoromethyl)phenyl]-3-methylaniline;[3,5-bis(aminomethyl)phenyl]methanamine;bis(3-aminophenyl)methanone;4-chlorobenzene-1,3-diamine;3-chloro-4-methylaniline;4-fluorobenzene-1,2-diamine;4-methylbenzene-1,3-diamine;5-(trifluoromethyl)benzene-1,3-diamine (PubChem CID 159453253) has the molecular formula C141H155Cl2F19N28O4S and a molecular weight of 2769.92 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;[4-(aminomethyl)phenyl]methanamine;3-(4-aminophenoxy)aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline;3-(3-aminophenyl)sulfonylaniline;4-[4-amino-2-(trifluoromethyl)phenyl]-3-methylaniline;[3,5-bis(aminomethyl)phenyl]methanamine;bis(3-aminophenyl)methanone;4-chlorobenzene-1,3-diamine;3-chloro-4-methylaniline;4-fluorobenzene-1,2-diamine;4-methylbenzene-1,3-diamine;5-(trifluoromethyl)benzene-1,3-diamine.

Molecular Properties

• Compound Name: 5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;[4-(aminomethyl)phenyl]methanamine;3-(4-aminophenoxy)aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline;3-(3-aminophenyl)sulfonylaniline;4-[4-amino-2-(trifluoromethyl)phenyl]-3-methylaniline;[3,5-bis(aminomethyl)phenyl]methanamine;bis(3-aminophenyl)methanone;4-chlorobenzene-1,3-diamine;3-chloro-4-methylaniline;4-fluorobenzene-1,2-diamine;4-methylbenzene-1,3-diamine;5-(trifluoromethyl)benzene-1,3-diamine
• PubChem CID: 159453253
• Molecular Formula: C141H155Cl2F19N28O4S
• Molecular Weight: 2769.92 g/mol
• Exact Mass: 2767.16
• IUPAC Name: 5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;[4-(aminomethyl)phenyl]methanamine;3-(4-aminophenoxy)aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline;3-(3-aminophenyl)sulfonylaniline;4-[4-amino-2-(trifluoromethyl)phenyl]-3-methylaniline;[3,5-bis(aminomethyl)phenyl]methanamine;bis(3-aminophenyl)methanone;4-chlorobenzene-1,3-diamine;3-chloro-4-methylaniline;4-fluorobenzene-1,2-diamine;4-methylbenzene-1,3-diamine;5-(trifluoromethyl)benzene-1,3-diamine
• SMILES: Cc1cc(N)ccc1-c1ccc(N)cc1C(F)(F)F.Cc1ccc(C(c2ccc(C)c(N)c2)(C(F)(F)F)C(F)(F)F)cc1N.Cc1ccc(N)cc1Cl.Cc1ccc(N)cc1N.NCc1cc(CN)cc(CN)c1.NCc1ccc(CN)cc1.NCc1cccc(CN)c1.Nc1cc(N)cc(C(F)(F)F)c1.Nc1ccc(Cl)c(N)c1.Nc1ccc(F)cc1N.Nc1ccc(Oc2cccc(N)c2)cc1.Nc1cccc(C(=O)c2cccc(N)c2)c1.Nc1cccc(C(c2cccc(N)c2)(C(F)(F)F)C(F)(F)F)c1.Nc1cccc(S(=O)(=O)c2cccc(N)c2)c1
• InChI: InChI=1S/C17H16F6N2.C15H12F6N2.C14H13F3N2.C13H12N2O.C12H12N2O2S.C12H12N2O.C9H15N3.2C8H12N2.C7H8ClN.C7H7F3N2.C7H10N2.C6H7ClN2.C6H7FN2/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;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;1-8-6-9(18)2-4-11(8)12-5-3-10(19)7-13(12)14(15,16)17;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;9-5-7-1-2-8(6-10)4-3-7;9-5-7-2-1-3-8(4-7)6-10;1-5-2-3-6(9)4-7(5)8;8-7(9,10)4-1-5(11)3-6(12)2-4;1-5-2-3-6(8)4-7(5)9;7-5-2-1-4(8)3-6(5)9;7-4-1-2-5(8)6(9)3-4/h3-8H,24-25H2,1-2H3;1-8H,22-23H2;2-7H,18-19H2,1H3;1-8H,14-15H2;1-8H,13-14H2;1-8H,13-14H2;1-3H,4-6,10-12H2;2*1-4H,5-6,9-10H2;2-4H,9H2,1H3;1-3H,11-12H2;2-4H,8-9H2,1H3;2*1-3H,8-9H2
• InChIKey: LTQLLRJTJFATON-UHFFFAOYSA-N
• XLogP: 28.42
• TPSA: 789.00 Ų
• H-Bond Donors: 28
• H-Bond Acceptors: 32
• Rotatable Bonds: 18
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2769.92
LogP ≤ 5	28.42
H-Bond Donors ≤ 5	28
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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;[4-(aminomethyl)phenyl]methanamine;3-(4-aminophenoxy)aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline;3-(3-aminophenyl)sulfonylaniline;4-[4-amino-2-(trifluoromethyl)phenyl]-3-methylaniline;[3,5-bis(aminomethyl)phenyl]methanamine;bis(3-aminophenyl)methanone;4-chlorobenzene-1,3-diamine;3-chloro-4-methylaniline;4-fluorobenzene-1,2-diamine;4-methylbenzene-1,3-diamine;5-(trifluoromethyl)benzene-1,3-diamine?

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;[4-(aminomethyl)phenyl]methanamine;3-(4-aminophenoxy)aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline;3-(3-aminophenyl)sulfonylaniline;4-[4-amino-2-(trifluoromethyl)phenyl]-3-methylaniline;[3,5-bis(aminomethyl)phenyl]methanamine;bis(3-aminophenyl)methanone;4-chlorobenzene-1,3-diamine;3-chloro-4-methylaniline;4-fluorobenzene-1,2-diamine;4-methylbenzene-1,3-diamine;5-(trifluoromethyl)benzene-1,3-diamine (CID 159453253) is 5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;[4-(aminomethyl)phenyl]methanamine;3-(4-aminophenoxy)aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline;3-(3-aminophenyl)sulfonylaniline;4-[4-amino-2-(trifluoromethyl)phenyl]-3-methylaniline;[3,5-bis(aminomethyl)phenyl]methanamine;bis(3-aminophenyl)methanone;4-chlorobenzene-1,3-diamine;3-chloro-4-methylaniline;4-fluorobenzene-1,2-diamine;4-methylbenzene-1,3-diamine;5-(trifluoromethyl)benzene-1,3-diamine.

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;[4-(aminomethyl)phenyl]methanamine;3-(4-aminophenoxy)aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline;3-(3-aminophenyl)sulfonylaniline;4-[4-amino-2-(trifluoromethyl)phenyl]-3-methylaniline;[3,5-bis(aminomethyl)phenyl]methanamine;bis(3-aminophenyl)methanone;4-chlorobenzene-1,3-diamine;3-chloro-4-methylaniline;4-fluorobenzene-1,2-diamine;4-methylbenzene-1,3-diamine;5-(trifluoromethyl)benzene-1,3-diamine?

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;[4-(aminomethyl)phenyl]methanamine;3-(4-aminophenoxy)aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline;3-(3-aminophenyl)sulfonylaniline;4-[4-amino-2-(trifluoromethyl)phenyl]-3-methylaniline;[3,5-bis(aminomethyl)phenyl]methanamine;bis(3-aminophenyl)methanone;4-chlorobenzene-1,3-diamine;3-chloro-4-methylaniline;4-fluorobenzene-1,2-diamine;4-methylbenzene-1,3-diamine;5-(trifluoromethyl)benzene-1,3-diamine is Cc1cc(N)ccc1-c1ccc(N)cc1C(F)(F)F.Cc1ccc(C(c2ccc(C)c(N)c2)(C(F)(F)F)C(F)(F)F)cc1N.Cc1ccc(N)cc1Cl.Cc1ccc(N)cc1N.NCc1cc(CN)cc(CN)c1.NCc1ccc(CN)cc1.NCc1cccc(CN)c1.Nc1cc(N)cc(C(F)(F)F)c1.Nc1ccc(Cl)c(N)c1.Nc1ccc(F)cc1N.Nc1ccc(Oc2cccc(N)c2)cc1.Nc1cccc(C(=O)c2cccc(N)c2)c1.Nc1cccc(C(c2cccc(N)c2)(C(F)(F)F)C(F)(F)F)c1.Nc1cccc(S(=O)(=O)c2cccc(N)c2)c1.

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;[4-(aminomethyl)phenyl]methanamine;3-(4-aminophenoxy)aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline;3-(3-aminophenyl)sulfonylaniline;4-[4-amino-2-(trifluoromethyl)phenyl]-3-methylaniline;[3,5-bis(aminomethyl)phenyl]methanamine;bis(3-aminophenyl)methanone;4-chlorobenzene-1,3-diamine;3-chloro-4-methylaniline;4-fluorobenzene-1,2-diamine;4-methylbenzene-1,3-diamine;5-(trifluoromethyl)benzene-1,3-diamine?

The InChIKey is LTQLLRJTJFATON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F6N2.C15H12F6N2.C14H13F3N2.C13H12N2O.C12H12N2O2S.C12H12N2O.C9H15N3.2C8H12N2.C7H8ClN.C7H7F3N2.C7H10N2.C6H7ClN2.C6H7FN2/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;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;1-8-6-9(18)2-4-11(8)12-5-3-10(19)7-13(12)14(15,16)17;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;9-5-7-1-2-8(6-10)4-3-7;9-5-7-2-1-3-8(4-7)6-10;1-5-2-3-6(9)4-7(5)8;8-7(9,10)4-1-5(11)3-6(12)2-4;1-5-2-3-6(8)4-7(5)9;7-5-2-1-4(8)3-6(5)9;7-4-1-2-5(8)6(9)3-4/h3-8H,24-25H2,1-2H3;1-8H,22-23H2;2-7H,18-19H2,1H3;1-8H,14-15H2;1-8H,13-14H2;1-8H,13-14H2;1-3H,4-6,10-12H2;2*1-4H,5-6,9-10H2;2-4H,9H2,1H3;1-3H,11-12H2;2-4H,8-9H2,1H3;2*1-3H,8-9H2.

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;[4-(aminomethyl)phenyl]methanamine;3-(4-aminophenoxy)aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline;3-(3-aminophenyl)sulfonylaniline;4-[4-amino-2-(trifluoromethyl)phenyl]-3-methylaniline;[3,5-bis(aminomethyl)phenyl]methanamine;bis(3-aminophenyl)methanone;4-chlorobenzene-1,3-diamine;3-chloro-4-methylaniline;4-fluorobenzene-1,2-diamine;4-methylbenzene-1,3-diamine;5-(trifluoromethyl)benzene-1,3-diamine?

5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline;[3-(aminomethyl)phenyl]methanamine;[4-(aminomethyl)phenyl]methanamine;3-(4-aminophenoxy)aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline;3-(3-aminophenyl)sulfonylaniline;4-[4-amino-2-(trifluoromethyl)phenyl]-3-methylaniline;[3,5-bis(aminomethyl)phenyl]methanamine;bis(3-aminophenyl)methanone;4-chlorobenzene-1,3-diamine;3-chloro-4-methylaniline;4-fluorobenzene-1,2-diamine;4-methylbenzene-1,3-diamine;5-(trifluoromethyl)benzene-1,3-diamine has a molecular weight of 2769.92 g/mol, XLogP of 28.42, 18 rotatable bonds, 28 hydrogen bond donors, and 32 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;[4-(aminomethyl)phenyl]methanamine;3-(4-aminophenoxy)aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline;3-(3-aminophenyl)sulfonylaniline;4-[4-amino-2-(trifluoromethyl)phenyl]-3-methylaniline;[3,5-bis(aminomethyl)phenyl]methanamine;bis(3-aminophenyl)methanone;4-chlorobenzene-1,3-diamine;3-chloro-4-methylaniline;4-fluorobenzene-1,2-diamine;4-methylbenzene-1,3-diamine;5-(trifluoromethyl)benzene-1,3-diamine is sourced from PubChem (CID 159453253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).