(4-phenylmethoxyphenyl)methanamine;hydrochloride

C14H16ClNO — CID 23372523

IUPAC(4-phenylmethoxyphenyl)methanamine;hydrochloride
SMILESCl.NCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C14H15NO.ClH/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13;/h1-9H,10-11,15H2;1H
InChIKeyRSZFCDGHJLBYEB-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.15
Rot. Bonds4

About (4-phenylmethoxyphenyl)methanamine;hydrochloride

(4-phenylmethoxyphenyl)methanamine;hydrochloride (PubChem CID 23372523) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is (4-phenylmethoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-phenylmethoxyphenyl)methanamine;hydrochloride
PubChem CID23372523
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name(4-phenylmethoxyphenyl)methanamine;hydrochloride
SMILESCl.NCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C14H15NO.ClH/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13;/h1-9H,10-11,15H2;1H
InChIKeyRSZFCDGHJLBYEB-UHFFFAOYSA-N
XLogP3.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-phenylmethoxyphenyl)methanamine;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-phenylmethoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (4-phenylmethoxyphenyl)methanamine;hydrochloride (CID 23372523) is (4-phenylmethoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (4-phenylmethoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (4-phenylmethoxyphenyl)methanamine;hydrochloride is Cl.NCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (4-phenylmethoxyphenyl)methanamine;hydrochloride?
The InChIKey is RSZFCDGHJLBYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO.ClH/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13;/h1-9H,10-11,15H2;1H.
What are the key properties of (4-phenylmethoxyphenyl)methanamine;hydrochloride?
(4-phenylmethoxyphenyl)methanamine;hydrochloride has a molecular weight of 249.74 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylmethoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 23372523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).