4-phenylmethoxyaniline;hydrochloride

C13H14ClNO — CID 2723831

IUPAC4-phenylmethoxyaniline;hydrochloride
SMILESCl.Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C13H13NO.ClH/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11;/h1-9H,10,14H2;1H
InChIKeyKQBDLOVXZHOAJI-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.27
Rot. Bonds3

About 4-phenylmethoxyaniline;hydrochloride

4-phenylmethoxyaniline;hydrochloride (PubChem CID 2723831) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 4-phenylmethoxyaniline;hydrochloride.

Molecular Properties

Compound Name4-phenylmethoxyaniline;hydrochloride
PubChem CID2723831
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name4-phenylmethoxyaniline;hydrochloride
SMILESCl.Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C13H13NO.ClH/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11;/h1-9H,10,14H2;1H
InChIKeyKQBDLOVXZHOAJI-UHFFFAOYSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-phenylmethoxyaniline;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 4-phenylmethoxyaniline;hydrochloride?
The IUPAC name of 4-phenylmethoxyaniline;hydrochloride (CID 2723831) is 4-phenylmethoxyaniline;hydrochloride.
What is the SMILES notation for 4-phenylmethoxyaniline;hydrochloride?
The canonical SMILES for 4-phenylmethoxyaniline;hydrochloride is Cl.Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-phenylmethoxyaniline;hydrochloride?
The InChIKey is KQBDLOVXZHOAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO.ClH/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11;/h1-9H,10,14H2;1H.
What are the key properties of 4-phenylmethoxyaniline;hydrochloride?
4-phenylmethoxyaniline;hydrochloride has a molecular weight of 235.71 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxyaniline;hydrochloride is sourced from PubChem (CID 2723831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).