3-methoxy-4-phenylaniline;hydrochloride

C13H14ClNO — CID 2760361

IUPAC3-methoxy-4-phenylaniline;hydrochloride
SMILESCOc1cc(N)ccc1-c1ccccc1.Cl
InChIInChI=1S/C13H13NO.ClH/c1-15-13-9-11(14)7-8-12(13)10-5-3-2-4-6-10;/h2-9H,14H2,1H3;1H
InChIKeyRQDFSDFBXBZRCC-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.37
Rot. Bonds2

About 3-methoxy-4-phenylaniline;hydrochloride

3-methoxy-4-phenylaniline;hydrochloride (PubChem CID 2760361) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 3-methoxy-4-phenylaniline;hydrochloride.

Molecular Properties

Compound Name3-methoxy-4-phenylaniline;hydrochloride
PubChem CID2760361
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name3-methoxy-4-phenylaniline;hydrochloride
SMILESCOc1cc(N)ccc1-c1ccccc1.Cl
InChIInChI=1S/C13H13NO.ClH/c1-15-13-9-11(14)7-8-12(13)10-5-3-2-4-6-10;/h2-9H,14H2,1H3;1H
InChIKeyRQDFSDFBXBZRCC-UHFFFAOYSA-N
XLogP3.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methoxy-4-phenylaniline;hydrochloride 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-methoxy-4-phenylaniline;hydrochloride?
The IUPAC name of 3-methoxy-4-phenylaniline;hydrochloride (CID 2760361) is 3-methoxy-4-phenylaniline;hydrochloride.
What is the SMILES notation for 3-methoxy-4-phenylaniline;hydrochloride?
The canonical SMILES for 3-methoxy-4-phenylaniline;hydrochloride is COc1cc(N)ccc1-c1ccccc1.Cl.
What is the InChIKey of 3-methoxy-4-phenylaniline;hydrochloride?
The InChIKey is RQDFSDFBXBZRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO.ClH/c1-15-13-9-11(14)7-8-12(13)10-5-3-2-4-6-10;/h2-9H,14H2,1H3;1H.
What are the key properties of 3-methoxy-4-phenylaniline;hydrochloride?
3-methoxy-4-phenylaniline;hydrochloride has a molecular weight of 235.71 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-phenylaniline;hydrochloride is sourced from PubChem (CID 2760361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).