2-(2-phenylethoxy)ethanamine;hydrochloride

C10H16ClNO — CID 46735523

IUPAC2-(2-phenylethoxy)ethanamine;hydrochloride
SMILESCl.NCCOCCc1ccccc1
InChIInChI=1S/C10H15NO.ClH/c11-7-9-12-8-6-10-4-2-1-3-5-10;/h1-5H,6-9,11H2;1H
InChIKeyKPAGQPARRIJPFL-UHFFFAOYSA-N
MW201.70 g/mol
LogP1.63
Rot. Bonds5

About 2-(2-phenylethoxy)ethanamine;hydrochloride

2-(2-phenylethoxy)ethanamine;hydrochloride (PubChem CID 46735523) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 2-(2-phenylethoxy)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-phenylethoxy)ethanamine;hydrochloride
PubChem CID46735523
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name2-(2-phenylethoxy)ethanamine;hydrochloride
SMILESCl.NCCOCCc1ccccc1
InChIInChI=1S/C10H15NO.ClH/c11-7-9-12-8-6-10-4-2-1-3-5-10;/h1-5H,6-9,11H2;1H
InChIKeyKPAGQPARRIJPFL-UHFFFAOYSA-N
XLogP1.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-phenylethoxy)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-(2-phenylethoxy)ethanamine;hydrochloride?
The IUPAC name of 2-(2-phenylethoxy)ethanamine;hydrochloride (CID 46735523) is 2-(2-phenylethoxy)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-phenylethoxy)ethanamine;hydrochloride?
The canonical SMILES for 2-(2-phenylethoxy)ethanamine;hydrochloride is Cl.NCCOCCc1ccccc1.
What is the InChIKey of 2-(2-phenylethoxy)ethanamine;hydrochloride?
The InChIKey is KPAGQPARRIJPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c11-7-9-12-8-6-10-4-2-1-3-5-10;/h1-5H,6-9,11H2;1H.
What are the key properties of 2-(2-phenylethoxy)ethanamine;hydrochloride?
2-(2-phenylethoxy)ethanamine;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethoxy)ethanamine;hydrochloride is sourced from PubChem (CID 46735523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).