2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride

C15H18ClNO — CID 162320588

IUPAC2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride
SMILESCc1ccccc1OCC(N)c1ccccc1.Cl
InChIInChI=1S/C15H17NO.ClH/c1-12-7-5-6-10-15(12)17-11-14(16)13-8-3-2-4-9-13;/h2-10,14H,11,16H2,1H3;1H
InChIKeyJUOBQPADTNROID-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.50
Rot. Bonds4

About 2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride

2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride (PubChem CID 162320588) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride
PubChem CID162320588
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride
SMILESCc1ccccc1OCC(N)c1ccccc1.Cl
InChIInChI=1S/C15H17NO.ClH/c1-12-7-5-6-10-15(12)17-11-14(16)13-8-3-2-4-9-13;/h2-10,14H,11,16H2,1H3;1H
InChIKeyJUOBQPADTNROID-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-methylphenoxy)-1-phenylethanamine;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-(2-methylphenoxy)-1-phenylethanamine;hydrochloride?
The IUPAC name of 2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride (CID 162320588) is 2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride.
What is the SMILES notation for 2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride?
The canonical SMILES for 2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride is Cc1ccccc1OCC(N)c1ccccc1.Cl.
What is the InChIKey of 2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride?
The InChIKey is JUOBQPADTNROID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO.ClH/c1-12-7-5-6-10-15(12)17-11-14(16)13-8-3-2-4-9-13;/h2-10,14H,11,16H2,1H3;1H.
What are the key properties of 2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride?
2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride is sourced from PubChem (CID 162320588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).