2-N-(2,4-dimethylphenyl)benzene-1,2-diamine

C14H16N2 — CID 29067178

IUPAC2-N-(2,4-dimethylphenyl)benzene-1,2-diamine
SMILESCc1ccc(Nc2ccccc2N)c(C)c1
InChIInChI=1S/C14H16N2/c1-10-7-8-13(11(2)9-10)16-14-6-4-3-5-12(14)15/h3-9,16H,15H2,1-2H3
InChIKeyCCUQIWVENCMIMV-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.63
Rot. Bonds2

About 2-N-(2,4-dimethylphenyl)benzene-1,2-diamine

2-N-(2,4-dimethylphenyl)benzene-1,2-diamine (PubChem CID 29067178) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-N-(2,4-dimethylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,4-dimethylphenyl)benzene-1,2-diamine
PubChem CID29067178
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name2-N-(2,4-dimethylphenyl)benzene-1,2-diamine
SMILESCc1ccc(Nc2ccccc2N)c(C)c1
InChIInChI=1S/C14H16N2/c1-10-7-8-13(11(2)9-10)16-14-6-4-3-5-12(14)15/h3-9,16H,15H2,1-2H3
InChIKeyCCUQIWVENCMIMV-UHFFFAOYSA-N
XLogP3.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.63
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-N-(4-bromo-2-methylphenyl)benzene-1,2-diamine
CID 18404976
2-N-(2-bromo-5-methylphenyl)benzene-1,2-diamine
CID 82761133
2-N-(2,4-dimethylphenyl)-3-methylbenzene-1,2-diamine
CID 115550017
4-chloro-2-N-(2,4-dimethylphenyl)benzene-1,2-diamine
CID 115468556
4-bromo-2-N-(2,4-dimethylphenyl)benzene-1,2-diamine
CID 65343203
1-N-(2-bromophenyl)-4-methylbenzene-1,2-diamine
CID 43349512
1-N-(2-fluorophenyl)-4-methylbenzene-1,2-diamine
CID 43168899
1-amino-4-(2,4-dimethylanilino)anthracene-9,10-dione
CID 12609645
4-amino-3-(2,4-dimethylanilino)-N,N-dimethylbenzamide
CID 63361174
2-N-[(2,4-dimethylphenyl)methyl]benzene-1,2-diamine
CID 115124442
4-N-(2,4-dimethylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19143286
2-amino-N-(2,4-dimethylphenyl)benzamide;hydrochloride
CID 170900117

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dimethylphenyl)benzene-1,2-diamine?
The IUPAC name of 2-N-(2,4-dimethylphenyl)benzene-1,2-diamine (CID 29067178) is 2-N-(2,4-dimethylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(2,4-dimethylphenyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(2,4-dimethylphenyl)benzene-1,2-diamine is Cc1ccc(Nc2ccccc2N)c(C)c1.
What is the InChIKey of 2-N-(2,4-dimethylphenyl)benzene-1,2-diamine?
The InChIKey is CCUQIWVENCMIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-10-7-8-13(11(2)9-10)16-14-6-4-3-5-12(14)15/h3-9,16H,15H2,1-2H3.
What are the key properties of 2-N-(2,4-dimethylphenyl)benzene-1,2-diamine?
2-N-(2,4-dimethylphenyl)benzene-1,2-diamine has a molecular weight of 212.30 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-dimethylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 29067178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).