4-(2-methylphenyl)-2-N-phenylbenzene-1,2-diamine

C19H18N2 — CID 118429250

IUPAC4-(2-methylphenyl)-2-N-phenylbenzene-1,2-diamine
SMILESCc1ccccc1-c1ccc(N)c(Nc2ccccc2)c1
InChIInChI=1S/C19H18N2/c1-14-7-5-6-10-17(14)15-11-12-18(20)19(13-15)21-16-8-3-2-4-9-16/h2-13,21H,20H2,1H3
InChIKeyBRFADEARFDLTAV-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.99
Rot. Bonds3

About 4-(2-methylphenyl)-2-N-phenylbenzene-1,2-diamine

4-(2-methylphenyl)-2-N-phenylbenzene-1,2-diamine (PubChem CID 118429250) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-(2-methylphenyl)-2-N-phenylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-(2-methylphenyl)-2-N-phenylbenzene-1,2-diamine
PubChem CID118429250
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name4-(2-methylphenyl)-2-N-phenylbenzene-1,2-diamine
SMILESCc1ccccc1-c1ccc(N)c(Nc2ccccc2)c1
InChIInChI=1S/C19H18N2/c1-14-7-5-6-10-17(14)15-11-12-18(20)19(13-15)21-16-8-3-2-4-9-16/h2-13,21H,20H2,1H3
InChIKeyBRFADEARFDLTAV-UHFFFAOYSA-N
XLogP4.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[4-(2-methylphenyl)phenyl]aniline
CID 144650096
4-acetamido-N-[2-amino-5-(2-methylphenyl)phenyl]benzamide
CID 67289851
2-methyl-4-N-(2-phenylphenyl)benzene-1,4-diamine
CID 43436248
4-chloro-2-N-phenylbenzene-1,2-diamine
CID 526554
4-methyl-2-(2-methylphenyl)-N-phenylaniline
CID 70565029
3,4-dimethyl-N-[2-methyl-4-(2-methylphenyl)phenyl]aniline
CID 164898383
3-(4-amino-3-anilinophenyl)benzoic acid
CID 58425607
2-fluoro-5-(2-methylphenyl)aniline
CID 82076476
2-methyl-3-(2-methylphenyl)-N-phenylaniline
CID 145291180
4-[4-amino-3-(3-phenylanilino)phenyl]phenol
CID 88990792
3-methyl-1-N-phenylbenzene-1,2-diamine
CID 53424314
3,5-dimethyl-1-N-phenylbenzene-1,2-diamine
CID 91671728

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-2-N-phenylbenzene-1,2-diamine?
The IUPAC name of 4-(2-methylphenyl)-2-N-phenylbenzene-1,2-diamine (CID 118429250) is 4-(2-methylphenyl)-2-N-phenylbenzene-1,2-diamine.
What is the SMILES notation for 4-(2-methylphenyl)-2-N-phenylbenzene-1,2-diamine?
The canonical SMILES for 4-(2-methylphenyl)-2-N-phenylbenzene-1,2-diamine is Cc1ccccc1-c1ccc(N)c(Nc2ccccc2)c1.
What is the InChIKey of 4-(2-methylphenyl)-2-N-phenylbenzene-1,2-diamine?
The InChIKey is BRFADEARFDLTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-14-7-5-6-10-17(14)15-11-12-18(20)19(13-15)21-16-8-3-2-4-9-16/h2-13,21H,20H2,1H3.
What are the key properties of 4-(2-methylphenyl)-2-N-phenylbenzene-1,2-diamine?
4-(2-methylphenyl)-2-N-phenylbenzene-1,2-diamine has a molecular weight of 274.37 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-2-N-phenylbenzene-1,2-diamine is sourced from PubChem (CID 118429250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).