2-[4-[(4-chlorophenyl)methoxy]phenyl]ethanamine;hydrochloride

C15H17Cl2NO — CID 86046220

IUPAC2-[4-[(4-chlorophenyl)methoxy]phenyl]ethanamine;hydrochloride
SMILESCl.NCCc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H16ClNO.ClH/c16-14-5-1-13(2-6-14)11-18-15-7-3-12(4-8-15)9-10-17;/h1-8H,9-11,17H2;1H
InChIKeyKAIRHJVMQDSVGK-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.84
Rot. Bonds5

About 2-[4-[(4-chlorophenyl)methoxy]phenyl]ethanamine;hydrochloride

2-[4-[(4-chlorophenyl)methoxy]phenyl]ethanamine;hydrochloride (PubChem CID 86046220) has the molecular formula C15H17Cl2NO and a molecular weight of 298.21 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)methoxy]phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)methoxy]phenyl]ethanamine;hydrochloride
PubChem CID86046220
Molecular FormulaC15H17Cl2NO
Molecular Weight298.21 g/mol
Exact Mass297.07
IUPAC Name2-[4-[(4-chlorophenyl)methoxy]phenyl]ethanamine;hydrochloride
SMILESCl.NCCc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H16ClNO.ClH/c16-14-5-1-13(2-6-14)11-18-15-7-3-12(4-8-15)9-10-17;/h1-8H,9-11,17H2;1H
InChIKeyKAIRHJVMQDSVGK-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-[(4-chlorophenyl)methoxy]phenyl]ethanamine;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 2-[4-[(4-chlorophenyl)methoxy]phenyl]ethanamine;hydrochloride?
The IUPAC name of 2-[4-[(4-chlorophenyl)methoxy]phenyl]ethanamine;hydrochloride (CID 86046220) is 2-[4-[(4-chlorophenyl)methoxy]phenyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)methoxy]phenyl]ethanamine;hydrochloride?
The canonical SMILES for 2-[4-[(4-chlorophenyl)methoxy]phenyl]ethanamine;hydrochloride is Cl.NCCc1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)methoxy]phenyl]ethanamine;hydrochloride?
The InChIKey is KAIRHJVMQDSVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO.ClH/c16-14-5-1-13(2-6-14)11-18-15-7-3-12(4-8-15)9-10-17;/h1-8H,9-11,17H2;1H.
What are the key properties of 2-[4-[(4-chlorophenyl)methoxy]phenyl]ethanamine;hydrochloride?
2-[4-[(4-chlorophenyl)methoxy]phenyl]ethanamine;hydrochloride has a molecular weight of 298.21 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)methoxy]phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 86046220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).