4-(4-aminophenyl)-3-(2-methylphenyl)benzene-1,2-diamine

C19H19N3 — CID 141121042

IUPAC4-(4-aminophenyl)-3-(2-methylphenyl)benzene-1,2-diamine
SMILESCc1ccccc1-c1c(-c2ccc(N)cc2)ccc(N)c1N
InChIInChI=1S/C19H19N3/c1-12-4-2-3-5-15(12)18-16(10-11-17(21)19(18)22)13-6-8-14(20)9-7-13/h2-11H,20-22H2,1H3
InChIKeyPRWYMRMHVCAWAH-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.08
Rot. Bonds2

About 4-(4-aminophenyl)-3-(2-methylphenyl)benzene-1,2-diamine

4-(4-aminophenyl)-3-(2-methylphenyl)benzene-1,2-diamine (PubChem CID 141121042) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-(4-aminophenyl)-3-(2-methylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(4-aminophenyl)-3-(2-methylphenyl)benzene-1,2-diamine
PubChem CID141121042
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC Name4-(4-aminophenyl)-3-(2-methylphenyl)benzene-1,2-diamine
SMILESCc1ccccc1-c1c(-c2ccc(N)cc2)ccc(N)c1N
InChIInChI=1S/C19H19N3/c1-12-4-2-3-5-15(12)18-16(10-11-17(21)19(18)22)13-6-8-14(20)9-7-13/h2-11H,20-22H2,1H3
InChIKeyPRWYMRMHVCAWAH-UHFFFAOYSA-N
XLogP4.08
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene
CID 144785199
4-(4-aminophenyl)-2-butyl-3-phenylaniline
CID 174875610
4-(2-fluoro-3-methylphenyl)aniline
CID 83394762
4-(4-aminophenyl)benzene-1,2,3-triamine;hydrogen peroxide
CID 87166160
1,2-bis(2-methylphenyl)-3-phenylbenzene
CID 175315364
2-fluoro-5-(2-methylphenyl)aniline
CID 82076476
4-[4-(2-phenylphenyl)phenyl]aniline
CID 167431375
1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1-methyl-2-[2-[4-(2-methylphenyl)phenyl]phenyl]benzene
CID 58892394
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
azane;1-methyl-2,3-diphenylbenzene
CID 175031313

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-3-(2-methylphenyl)benzene-1,2-diamine?
The IUPAC name of 4-(4-aminophenyl)-3-(2-methylphenyl)benzene-1,2-diamine (CID 141121042) is 4-(4-aminophenyl)-3-(2-methylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-(4-aminophenyl)-3-(2-methylphenyl)benzene-1,2-diamine?
The canonical SMILES for 4-(4-aminophenyl)-3-(2-methylphenyl)benzene-1,2-diamine is Cc1ccccc1-c1c(-c2ccc(N)cc2)ccc(N)c1N.
What is the InChIKey of 4-(4-aminophenyl)-3-(2-methylphenyl)benzene-1,2-diamine?
The InChIKey is PRWYMRMHVCAWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3/c1-12-4-2-3-5-15(12)18-16(10-11-17(21)19(18)22)13-6-8-14(20)9-7-13/h2-11H,20-22H2,1H3.
What are the key properties of 4-(4-aminophenyl)-3-(2-methylphenyl)benzene-1,2-diamine?
4-(4-aminophenyl)-3-(2-methylphenyl)benzene-1,2-diamine has a molecular weight of 289.38 g/mol, XLogP of 4.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-3-(2-methylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 141121042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).