2-methoxy-4-N-phenylbenzene-1,4-diamine

C13H14N2O — CID 611802

IUPAC2-methoxy-4-N-phenylbenzene-1,4-diamine
SMILESCOc1cc(Nc2ccccc2)ccc1N
InChIInChI=1S/C13H14N2O/c1-16-13-9-11(7-8-12(13)14)15-10-5-3-2-4-6-10/h2-9,15H,14H2,1H3
InChIKeyPSLCQHFPBXQZLI-UHFFFAOYSA-N
MW214.27 g/mol
LogP3.02
Rot. Bonds3

About 2-methoxy-4-N-phenylbenzene-1,4-diamine

2-methoxy-4-N-phenylbenzene-1,4-diamine (PubChem CID 611802) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-methoxy-4-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-methoxy-4-N-phenylbenzene-1,4-diamine
PubChem CID611802
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-methoxy-4-N-phenylbenzene-1,4-diamine
SMILESCOc1cc(Nc2ccccc2)ccc1N
InChIInChI=1S/C13H14N2O/c1-16-13-9-11(7-8-12(13)14)15-10-5-3-2-4-6-10/h2-9,15H,14H2,1H3
InChIKeyPSLCQHFPBXQZLI-UHFFFAOYSA-N
XLogP3.02
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methoxy-4-N-phenylbenzene-1,4-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 2-methoxy-4-N-phenylbenzene-1,4-diamine?
The IUPAC name of 2-methoxy-4-N-phenylbenzene-1,4-diamine (CID 611802) is 2-methoxy-4-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 2-methoxy-4-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 2-methoxy-4-N-phenylbenzene-1,4-diamine is COc1cc(Nc2ccccc2)ccc1N.
What is the InChIKey of 2-methoxy-4-N-phenylbenzene-1,4-diamine?
The InChIKey is PSLCQHFPBXQZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-16-13-9-11(7-8-12(13)14)15-10-5-3-2-4-6-10/h2-9,15H,14H2,1H3.
What are the key properties of 2-methoxy-4-N-phenylbenzene-1,4-diamine?
2-methoxy-4-N-phenylbenzene-1,4-diamine has a molecular weight of 214.27 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 611802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).