3-N-(4-ethylphenyl)-3-N,5-dimethylbenzene-1,3-diamine

C16H20N2 — CID 112647630

IUPAC3-N-(4-ethylphenyl)-3-N,5-dimethylbenzene-1,3-diamine
SMILESCCc1ccc(N(C)c2cc(C)cc(N)c2)cc1
InChIInChI=1S/C16H20N2/c1-4-13-5-7-15(8-6-13)18(3)16-10-12(2)9-14(17)11-16/h5-11H,4,17H2,1-3H3
InChIKeyPVIXXKGMZOTSSR-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.91
Rot. Bonds3

About 3-N-(4-ethylphenyl)-3-N,5-dimethylbenzene-1,3-diamine

3-N-(4-ethylphenyl)-3-N,5-dimethylbenzene-1,3-diamine (PubChem CID 112647630) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-N-(4-ethylphenyl)-3-N,5-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(4-ethylphenyl)-3-N,5-dimethylbenzene-1,3-diamine
PubChem CID112647630
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name3-N-(4-ethylphenyl)-3-N,5-dimethylbenzene-1,3-diamine
SMILESCCc1ccc(N(C)c2cc(C)cc(N)c2)cc1
InChIInChI=1S/C16H20N2/c1-4-13-5-7-15(8-6-13)18(3)16-10-12(2)9-14(17)11-16/h5-11H,4,17H2,1-3H3
InChIKeyPVIXXKGMZOTSSR-UHFFFAOYSA-N
XLogP3.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-N-(4-ethylphenyl)-3-N,5-dimethylbenzene-1,3-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-N-(4-ethylphenyl)-3-N,5-dimethylbenzene-1,3-diamine?
The IUPAC name of 3-N-(4-ethylphenyl)-3-N,5-dimethylbenzene-1,3-diamine (CID 112647630) is 3-N-(4-ethylphenyl)-3-N,5-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(4-ethylphenyl)-3-N,5-dimethylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(4-ethylphenyl)-3-N,5-dimethylbenzene-1,3-diamine is CCc1ccc(N(C)c2cc(C)cc(N)c2)cc1.
What is the InChIKey of 3-N-(4-ethylphenyl)-3-N,5-dimethylbenzene-1,3-diamine?
The InChIKey is PVIXXKGMZOTSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-4-13-5-7-15(8-6-13)18(3)16-10-12(2)9-14(17)11-16/h5-11H,4,17H2,1-3H3.
What are the key properties of 3-N-(4-ethylphenyl)-3-N,5-dimethylbenzene-1,3-diamine?
3-N-(4-ethylphenyl)-3-N,5-dimethylbenzene-1,3-diamine has a molecular weight of 240.35 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-ethylphenyl)-3-N,5-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 112647630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).