2-phenylethanamine;hydrochloride

C8H12ClN — CID 9075

IUPAC2-phenylethanamine;hydrochloride
SMILESCl.NCCc1ccccc1
InChIInChI=1S/C8H11N.ClH/c9-7-6-8-4-2-1-3-5-8;/h1-5H,6-7,9H2;1H
InChIKeySKHIBNDAFWIOPB-UHFFFAOYSA-N
MW157.64 g/mol
LogP1.61
Rot. Bonds2

About 2-phenylethanamine;hydrochloride

2-phenylethanamine;hydrochloride (PubChem CID 9075) has the molecular formula C8H12ClN and a molecular weight of 157.64 g/mol. Its IUPAC name is 2-phenylethanamine;hydrochloride.

Molecular Properties

Compound Name2-phenylethanamine;hydrochloride
PubChem CID9075
Molecular FormulaC8H12ClN
Molecular Weight157.64 g/mol
Exact Mass157.07
IUPAC Name2-phenylethanamine;hydrochloride
SMILESCl.NCCc1ccccc1
InChIInChI=1S/C8H11N.ClH/c9-7-6-8-4-2-1-3-5-8;/h1-5H,6-7,9H2;1H
InChIKeySKHIBNDAFWIOPB-UHFFFAOYSA-N
XLogP1.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.64
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-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-phenylethanamine;hydrochloride?
The IUPAC name of 2-phenylethanamine;hydrochloride (CID 9075) is 2-phenylethanamine;hydrochloride.
What is the SMILES notation for 2-phenylethanamine;hydrochloride?
The canonical SMILES for 2-phenylethanamine;hydrochloride is Cl.NCCc1ccccc1.
What is the InChIKey of 2-phenylethanamine;hydrochloride?
The InChIKey is SKHIBNDAFWIOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.ClH/c9-7-6-8-4-2-1-3-5-8;/h1-5H,6-7,9H2;1H.
What are the key properties of 2-phenylethanamine;hydrochloride?
2-phenylethanamine;hydrochloride has a molecular weight of 157.64 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethanamine;hydrochloride is sourced from PubChem (CID 9075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).