1-N-ethyl-4-methylbenzene-1,2-diamine

C9H14N2 — CID 14243606

IUPAC1-N-ethyl-4-methylbenzene-1,2-diamine
SMILESCCNc1ccc(C)cc1N
InChIInChI=1S/C9H14N2/c1-3-11-9-5-4-7(2)6-8(9)10/h4-6,11H,3,10H2,1-2H3
InChIKeyBNXHASWEPWWAHF-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.01
Rot. Bonds2

About 1-N-ethyl-4-methylbenzene-1,2-diamine

1-N-ethyl-4-methylbenzene-1,2-diamine (PubChem CID 14243606) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-N-ethyl-4-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-4-methylbenzene-1,2-diamine
PubChem CID14243606
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1-N-ethyl-4-methylbenzene-1,2-diamine
SMILESCCNc1ccc(C)cc1N
InChIInChI=1S/C9H14N2/c1-3-11-9-5-4-7(2)6-8(9)10/h4-6,11H,3,10H2,1-2H3
InChIKeyBNXHASWEPWWAHF-UHFFFAOYSA-N
XLogP2.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-ethyl-4-methylbenzene-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 1-N-ethyl-4-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-ethyl-4-methylbenzene-1,2-diamine (CID 14243606) is 1-N-ethyl-4-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-4-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-ethyl-4-methylbenzene-1,2-diamine is CCNc1ccc(C)cc1N.
What is the InChIKey of 1-N-ethyl-4-methylbenzene-1,2-diamine?
The InChIKey is BNXHASWEPWWAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-11-9-5-4-7(2)6-8(9)10/h4-6,11H,3,10H2,1-2H3.
What are the key properties of 1-N-ethyl-4-methylbenzene-1,2-diamine?
1-N-ethyl-4-methylbenzene-1,2-diamine has a molecular weight of 150.22 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-methylbenzene-1,2-diamine is sourced from PubChem (CID 14243606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).