3,5-dimethyl-1-N-phenylbenzene-1,2-diamine

C14H16N2 — CID 91671728

IUPAC3,5-dimethyl-1-N-phenylbenzene-1,2-diamine
SMILESCc1cc(C)c(N)c(Nc2ccccc2)c1
InChIInChI=1S/C14H16N2/c1-10-8-11(2)14(15)13(9-10)16-12-6-4-3-5-7-12/h3-9,16H,15H2,1-2H3
InChIKeyINWCSEXYZPGJDD-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.63
Rot. Bonds2

About 3,5-dimethyl-1-N-phenylbenzene-1,2-diamine

3,5-dimethyl-1-N-phenylbenzene-1,2-diamine (PubChem CID 91671728) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 3,5-dimethyl-1-N-phenylbenzene-1,2-diamine.

Molecular Properties

Compound Name3,5-dimethyl-1-N-phenylbenzene-1,2-diamine
PubChem CID91671728
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name3,5-dimethyl-1-N-phenylbenzene-1,2-diamine
SMILESCc1cc(C)c(N)c(Nc2ccccc2)c1
InChIInChI=1S/C14H16N2/c1-10-8-11(2)14(15)13(9-10)16-12-6-4-3-5-7-12/h3-9,16H,15H2,1-2H3
InChIKeyINWCSEXYZPGJDD-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'}

Analyze 3,5-dimethyl-1-N-phenylbenzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-N-phenylbenzene-1,2-diamine?
The IUPAC name of 3,5-dimethyl-1-N-phenylbenzene-1,2-diamine (CID 91671728) is 3,5-dimethyl-1-N-phenylbenzene-1,2-diamine.
What is the SMILES notation for 3,5-dimethyl-1-N-phenylbenzene-1,2-diamine?
The canonical SMILES for 3,5-dimethyl-1-N-phenylbenzene-1,2-diamine is Cc1cc(C)c(N)c(Nc2ccccc2)c1.
What is the InChIKey of 3,5-dimethyl-1-N-phenylbenzene-1,2-diamine?
The InChIKey is INWCSEXYZPGJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-10-8-11(2)14(15)13(9-10)16-12-6-4-3-5-7-12/h3-9,16H,15H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-N-phenylbenzene-1,2-diamine?
3,5-dimethyl-1-N-phenylbenzene-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 3,5-dimethyl-1-N-phenylbenzene-1,2-diamine is sourced from PubChem (CID 91671728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).