3-N-(3,5-dimethylphenyl)-3-N,2-dimethylbenzene-1,3-diamine

C16H20N2 — CID 55146231

IUPAC3-N-(3,5-dimethylphenyl)-3-N,2-dimethylbenzene-1,3-diamine
SMILESCc1cc(C)cc(N(C)c2cccc(N)c2C)c1
InChIInChI=1S/C16H20N2/c1-11-8-12(2)10-14(9-11)18(4)16-7-5-6-15(17)13(16)3/h5-10H,17H2,1-4H3
InChIKeyZFAIWESUZXMIPZ-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.96
Rot. Bonds2

About 3-N-(3,5-dimethylphenyl)-3-N,2-dimethylbenzene-1,3-diamine

3-N-(3,5-dimethylphenyl)-3-N,2-dimethylbenzene-1,3-diamine (PubChem CID 55146231) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-N-(3,5-dimethylphenyl)-3-N,2-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(3,5-dimethylphenyl)-3-N,2-dimethylbenzene-1,3-diamine
PubChem CID55146231
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name3-N-(3,5-dimethylphenyl)-3-N,2-dimethylbenzene-1,3-diamine
SMILESCc1cc(C)cc(N(C)c2cccc(N)c2C)c1
InChIInChI=1S/C16H20N2/c1-11-8-12(2)10-14(9-11)18(4)16-7-5-6-15(17)13(16)3/h5-10H,17H2,1-4H3
InChIKeyZFAIWESUZXMIPZ-UHFFFAOYSA-N
XLogP3.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-N-(3,5-dimethylphenyl)-3-N,2-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-(3,5-dimethylphenyl)-3-N,2-dimethylbenzene-1,3-diamine?
The IUPAC name of 3-N-(3,5-dimethylphenyl)-3-N,2-dimethylbenzene-1,3-diamine (CID 55146231) is 3-N-(3,5-dimethylphenyl)-3-N,2-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(3,5-dimethylphenyl)-3-N,2-dimethylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(3,5-dimethylphenyl)-3-N,2-dimethylbenzene-1,3-diamine is Cc1cc(C)cc(N(C)c2cccc(N)c2C)c1.
What is the InChIKey of 3-N-(3,5-dimethylphenyl)-3-N,2-dimethylbenzene-1,3-diamine?
The InChIKey is ZFAIWESUZXMIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-11-8-12(2)10-14(9-11)18(4)16-7-5-6-15(17)13(16)3/h5-10H,17H2,1-4H3.
What are the key properties of 3-N-(3,5-dimethylphenyl)-3-N,2-dimethylbenzene-1,3-diamine?
3-N-(3,5-dimethylphenyl)-3-N,2-dimethylbenzene-1,3-diamine has a molecular weight of 240.35 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,5-dimethylphenyl)-3-N,2-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 55146231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).