1-(4-aminophenyl)-2-(4-methylphenyl)ethanone;2-[4-[2-(4-aminophenyl)-2-oxoethyl]phenyl]-1-(4-methylphenyl)ethanone;benzene-1,4-diamine;2,4-dimethylaniline;2,5-dimethylaniline;4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;4-[4-(4-methylphenyl)piperazin-1-yl]aniline;4-[2-(4-methylphenyl)propan-2-yl]aniline;4-(4-methylphenyl)sulfanylaniline;5-(trifluoromethyl)benzene-1,3-diamine

C155H160F9N15O3S — CID 158982253

IUPAC1-(4-aminophenyl)-2-(4-methylphenyl)ethanone;2-[4-[2-(4-aminophenyl)-2-oxoethyl]phenyl]-1-(4-methylphenyl)ethanone;benzene-1,4-diamine;2,4-dimethylaniline;2,5-dimethylaniline;4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;4-[4-(4-methylphenyl)piperazin-1-yl]aniline;4-[2-(4-methylphenyl)propan-2-yl]aniline;4-(4-methylphenyl)sulfanylaniline;5-(trifluoromethyl)benzene-1,3-diamine
SMILESCc1ccc(C(=O)Cc2ccc(CC(=O)c3ccc(N)cc3)cc2)cc1.Cc1ccc(C(C)(C)c2ccc(N)cc2)cc1.Cc1ccc(C(c2ccc(N)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(C)c(N)c1.Cc1ccc(C2(c3ccc(N)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc(CC(=O)c2ccc(N)cc2)cc1.Cc1ccc(N)c(C)c1.Cc1ccc(N2CCN(c3ccc(N)cc3)CC2)cc1.Cc1ccc(Sc2ccc(N)cc2)cc1.Nc1cc(N)cc(C(F)(F)F)c1.Nc1ccc(N)cc1
InChIInChI=1S/C26H21N.C23H21NO2.C17H21N3.C16H13F6N.C16H19N.C15H15NO.C13H13NS.2C8H11N.C7H7F3N2.C6H8N2/c1-18-10-12-19(13-11-18)26(20-14-16-21(27)17-15-20)24-8-4-2-6-22(24)23-7-3-5-9-25(23)26;1-16-2-8-19(9-3-16)22(25)14-17-4-6-18(7-5-17)15-23(26)20-10-12-21(24)13-11-20;1-14-2-6-16(7-3-14)19-10-12-20(13-11-19)17-8-4-15(18)5-9-17;1-10-2-4-11(5-3-10)14(15(17,18)19,16(20,21)22)12-6-8-13(23)9-7-12;1-12-4-6-13(7-5-12)16(2,3)14-8-10-15(17)11-9-14;1-11-2-4-12(5-3-11)10-15(17)13-6-8-14(16)9-7-13;1-10-2-6-12(7-3-10)15-13-8-4-11(14)5-9-13;1-6-3-4-8(9)7(2)5-6;1-6-3-4-7(2)8(9)5-6;8-7(9,10)4-1-5(11)3-6(12)2-4;7-5-1-2-6(8)4-3-5/h2-17H,27H2,1H3;2-13H,14-15,24H2,1H3;2-9H,10-13,18H2,1H3;2-9H,23H2,1H3;4-11H,17H2,1-3H3;2-9H,10,16H2,1H3;2-9H,14H2,1H3;2*3-5H,9H2,1-2H3;1-3H,11-12H2;1-4H,7-8H2
InChIKeyJPDKVMKARFPMPG-UHFFFAOYSA-N
MW2484.14 g/mol
LogP35.39
Rot. Bonds19

About 1-(4-aminophenyl)-2-(4-methylphenyl)ethanone;2-[4-[2-(4-aminophenyl)-2-oxoethyl]phenyl]-1-(4-methylphenyl)ethanone;benzene-1,4-diamine;2,4-dimethylaniline;2,5-dimethylaniline;4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;4-[4-(4-methylphenyl)piperazin-1-yl]aniline;4-[2-(4-methylphenyl)propan-2-yl]aniline;4-(4-methylphenyl)sulfanylaniline;5-(trifluoromethyl)benzene-1,3-diamine

1-(4-aminophenyl)-2-(4-methylphenyl)ethanone;2-[4-[2-(4-aminophenyl)-2-oxoethyl]phenyl]-1-(4-methylphenyl)ethanone;benzene-1,4-diamine;2,4-dimethylaniline;2,5-dimethylaniline;4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;4-[4-(4-methylphenyl)piperazin-1-yl]aniline;4-[2-(4-methylphenyl)propan-2-yl]aniline;4-(4-methylphenyl)sulfanylaniline;5-(trifluoromethyl)benzene-1,3-diamine (PubChem CID 158982253) has the molecular formula C155H160F9N15O3S and a molecular weight of 2484.14 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(4-methylphenyl)ethanone;2-[4-[2-(4-aminophenyl)-2-oxoethyl]phenyl]-1-(4-methylphenyl)ethanone;benzene-1,4-diamine;2,4-dimethylaniline;2,5-dimethylaniline;4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;4-[4-(4-methylphenyl)piperazin-1-yl]aniline;4-[2-(4-methylphenyl)propan-2-yl]aniline;4-(4-methylphenyl)sulfanylaniline;5-(trifluoromethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(4-methylphenyl)ethanone;2-[4-[2-(4-aminophenyl)-2-oxoethyl]phenyl]-1-(4-methylphenyl)ethanone;benzene-1,4-diamine;2,4-dimethylaniline;2,5-dimethylaniline;4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;4-[4-(4-methylphenyl)piperazin-1-yl]aniline;4-[2-(4-methylphenyl)propan-2-yl]aniline;4-(4-methylphenyl)sulfanylaniline;5-(trifluoromethyl)benzene-1,3-diamine
PubChem CID158982253
Molecular FormulaC155H160F9N15O3S
Molecular Weight2484.14 g/mol
Exact Mass2482.24
IUPAC Name1-(4-aminophenyl)-2-(4-methylphenyl)ethanone;2-[4-[2-(4-aminophenyl)-2-oxoethyl]phenyl]-1-(4-methylphenyl)ethanone;benzene-1,4-diamine;2,4-dimethylaniline;2,5-dimethylaniline;4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;4-[4-(4-methylphenyl)piperazin-1-yl]aniline;4-[2-(4-methylphenyl)propan-2-yl]aniline;4-(4-methylphenyl)sulfanylaniline;5-(trifluoromethyl)benzene-1,3-diamine
SMILESCc1ccc(C(=O)Cc2ccc(CC(=O)c3ccc(N)cc3)cc2)cc1.Cc1ccc(C(C)(C)c2ccc(N)cc2)cc1.Cc1ccc(C(c2ccc(N)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(C)c(N)c1.Cc1ccc(C2(c3ccc(N)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc(CC(=O)c2ccc(N)cc2)cc1.Cc1ccc(N)c(C)c1.Cc1ccc(N2CCN(c3ccc(N)cc3)CC2)cc1.Cc1ccc(Sc2ccc(N)cc2)cc1.Nc1cc(N)cc(C(F)(F)F)c1.Nc1ccc(N)cc1
InChIInChI=1S/C26H21N.C23H21NO2.C17H21N3.C16H13F6N.C16H19N.C15H15NO.C13H13NS.2C8H11N.C7H7F3N2.C6H8N2/c1-18-10-12-19(13-11-18)26(20-14-16-21(27)17-15-20)24-8-4-2-6-22(24)23-7-3-5-9-25(23)26;1-16-2-8-19(9-3-16)22(25)14-17-4-6-18(7-5-17)15-23(26)20-10-12-21(24)13-11-20;1-14-2-6-16(7-3-14)19-10-12-20(13-11-19)17-8-4-15(18)5-9-17;1-10-2-4-11(5-3-10)14(15(17,18)19,16(20,21)22)12-6-8-13(23)9-7-12;1-12-4-6-13(7-5-12)16(2,3)14-8-10-15(17)11-9-14;1-11-2-4-12(5-3-11)10-15(17)13-6-8-14(16)9-7-13;1-10-2-6-12(7-3-10)15-13-8-4-11(14)5-9-13;1-6-3-4-8(9)7(2)5-6;1-6-3-4-7(2)8(9)5-6;8-7(9,10)4-1-5(11)3-6(12)2-4;7-5-1-2-6(8)4-3-5/h2-17H,27H2,1H3;2-13H,14-15,24H2,1H3;2-9H,10-13,18H2,1H3;2-9H,23H2,1H3;4-11H,17H2,1-3H3;2-9H,10,16H2,1H3;2-9H,14H2,1H3;2*3-5H,9H2,1-2H3;1-3H,11-12H2;1-4H,7-8H2
InChIKeyJPDKVMKARFPMPG-UHFFFAOYSA-N
XLogP35.39
TPSA395.95 Ų
H-Bond Donors13
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms183
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002484.14
LogP ≤ 535.39
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(4-aminophenyl)-2-(4-methylphenyl)ethanone;2-[4-[2-(4-aminophenyl)-2-oxoethyl]phenyl]-1-(4-methylphenyl)ethanone;benzene-1,4-diamine;2,4-dimethylaniline;2,5-dimethylaniline;4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;4-[4-(4-methylphenyl)piperazin-1-yl]aniline;4-[2-(4-methylphenyl)propan-2-yl]aniline;4-(4-methylphenyl)sulfanylaniline;5-(trifluoromethyl)benzene-1,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(4-methylphenyl)ethanone;2-[4-[2-(4-aminophenyl)-2-oxoethyl]phenyl]-1-(4-methylphenyl)ethanone;benzene-1,4-diamine;2,4-dimethylaniline;2,5-dimethylaniline;4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;4-[4-(4-methylphenyl)piperazin-1-yl]aniline;4-[2-(4-methylphenyl)propan-2-yl]aniline;4-(4-methylphenyl)sulfanylaniline;5-(trifluoromethyl)benzene-1,3-diamine?
The IUPAC name of 1-(4-aminophenyl)-2-(4-methylphenyl)ethanone;2-[4-[2-(4-aminophenyl)-2-oxoethyl]phenyl]-1-(4-methylphenyl)ethanone;benzene-1,4-diamine;2,4-dimethylaniline;2,5-dimethylaniline;4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;4-[4-(4-methylphenyl)piperazin-1-yl]aniline;4-[2-(4-methylphenyl)propan-2-yl]aniline;4-(4-methylphenyl)sulfanylaniline;5-(trifluoromethyl)benzene-1,3-diamine (CID 158982253) is 1-(4-aminophenyl)-2-(4-methylphenyl)ethanone;2-[4-[2-(4-aminophenyl)-2-oxoethyl]phenyl]-1-(4-methylphenyl)ethanone;benzene-1,4-diamine;2,4-dimethylaniline;2,5-dimethylaniline;4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;4-[4-(4-methylphenyl)piperazin-1-yl]aniline;4-[2-(4-methylphenyl)propan-2-yl]aniline;4-(4-methylphenyl)sulfanylaniline;5-(trifluoromethyl)benzene-1,3-diamine.
What is the SMILES notation for 1-(4-aminophenyl)-2-(4-methylphenyl)ethanone;2-[4-[2-(4-aminophenyl)-2-oxoethyl]phenyl]-1-(4-methylphenyl)ethanone;benzene-1,4-diamine;2,4-dimethylaniline;2,5-dimethylaniline;4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;4-[4-(4-methylphenyl)piperazin-1-yl]aniline;4-[2-(4-methylphenyl)propan-2-yl]aniline;4-(4-methylphenyl)sulfanylaniline;5-(trifluoromethyl)benzene-1,3-diamine?
The canonical SMILES for 1-(4-aminophenyl)-2-(4-methylphenyl)ethanone;2-[4-[2-(4-aminophenyl)-2-oxoethyl]phenyl]-1-(4-methylphenyl)ethanone;benzene-1,4-diamine;2,4-dimethylaniline;2,5-dimethylaniline;4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;4-[4-(4-methylphenyl)piperazin-1-yl]aniline;4-[2-(4-methylphenyl)propan-2-yl]aniline;4-(4-methylphenyl)sulfanylaniline;5-(trifluoromethyl)benzene-1,3-diamine is Cc1ccc(C(=O)Cc2ccc(CC(=O)c3ccc(N)cc3)cc2)cc1.Cc1ccc(C(C)(C)c2ccc(N)cc2)cc1.Cc1ccc(C(c2ccc(N)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(C)c(N)c1.Cc1ccc(C2(c3ccc(N)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc(CC(=O)c2ccc(N)cc2)cc1.Cc1ccc(N)c(C)c1.Cc1ccc(N2CCN(c3ccc(N)cc3)CC2)cc1.Cc1ccc(Sc2ccc(N)cc2)cc1.Nc1cc(N)cc(C(F)(F)F)c1.Nc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-(4-methylphenyl)ethanone;2-[4-[2-(4-aminophenyl)-2-oxoethyl]phenyl]-1-(4-methylphenyl)ethanone;benzene-1,4-diamine;2,4-dimethylaniline;2,5-dimethylaniline;4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;4-[4-(4-methylphenyl)piperazin-1-yl]aniline;4-[2-(4-methylphenyl)propan-2-yl]aniline;4-(4-methylphenyl)sulfanylaniline;5-(trifluoromethyl)benzene-1,3-diamine?
The InChIKey is JPDKVMKARFPMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N.C23H21NO2.C17H21N3.C16H13F6N.C16H19N.C15H15NO.C13H13NS.2C8H11N.C7H7F3N2.C6H8N2/c1-18-10-12-19(13-11-18)26(20-14-16-21(27)17-15-20)24-8-4-2-6-22(24)23-7-3-5-9-25(23)26;1-16-2-8-19(9-3-16)22(25)14-17-4-6-18(7-5-17)15-23(26)20-10-12-21(24)13-11-20;1-14-2-6-16(7-3-14)19-10-12-20(13-11-19)17-8-4-15(18)5-9-17;1-10-2-4-11(5-3-10)14(15(17,18)19,16(20,21)22)12-6-8-13(23)9-7-12;1-12-4-6-13(7-5-12)16(2,3)14-8-10-15(17)11-9-14;1-11-2-4-12(5-3-11)10-15(17)13-6-8-14(16)9-7-13;1-10-2-6-12(7-3-10)15-13-8-4-11(14)5-9-13;1-6-3-4-8(9)7(2)5-6;1-6-3-4-7(2)8(9)5-6;8-7(9,10)4-1-5(11)3-6(12)2-4;7-5-1-2-6(8)4-3-5/h2-17H,27H2,1H3;2-13H,14-15,24H2,1H3;2-9H,10-13,18H2,1H3;2-9H,23H2,1H3;4-11H,17H2,1-3H3;2-9H,10,16H2,1H3;2-9H,14H2,1H3;2*3-5H,9H2,1-2H3;1-3H,11-12H2;1-4H,7-8H2.
What are the key properties of 1-(4-aminophenyl)-2-(4-methylphenyl)ethanone;2-[4-[2-(4-aminophenyl)-2-oxoethyl]phenyl]-1-(4-methylphenyl)ethanone;benzene-1,4-diamine;2,4-dimethylaniline;2,5-dimethylaniline;4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;4-[4-(4-methylphenyl)piperazin-1-yl]aniline;4-[2-(4-methylphenyl)propan-2-yl]aniline;4-(4-methylphenyl)sulfanylaniline;5-(trifluoromethyl)benzene-1,3-diamine?
1-(4-aminophenyl)-2-(4-methylphenyl)ethanone;2-[4-[2-(4-aminophenyl)-2-oxoethyl]phenyl]-1-(4-methylphenyl)ethanone;benzene-1,4-diamine;2,4-dimethylaniline;2,5-dimethylaniline;4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;4-[4-(4-methylphenyl)piperazin-1-yl]aniline;4-[2-(4-methylphenyl)propan-2-yl]aniline;4-(4-methylphenyl)sulfanylaniline;5-(trifluoromethyl)benzene-1,3-diamine has a molecular weight of 2484.14 g/mol, XLogP of 35.39, 19 rotatable bonds, 13 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(4-methylphenyl)ethanone;2-[4-[2-(4-aminophenyl)-2-oxoethyl]phenyl]-1-(4-methylphenyl)ethanone;benzene-1,4-diamine;2,4-dimethylaniline;2,5-dimethylaniline;4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]aniline;4-[9-(4-methylphenyl)fluoren-9-yl]aniline;4-[4-(4-methylphenyl)piperazin-1-yl]aniline;4-[2-(4-methylphenyl)propan-2-yl]aniline;4-(4-methylphenyl)sulfanylaniline;5-(trifluoromethyl)benzene-1,3-diamine is sourced from PubChem (CID 158982253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).