(1S)-2-phenoxy-1-phenylethanamine;hydrochloride

C14H16ClNO — CID 131882540

IUPAC(1S)-2-phenoxy-1-phenylethanamine;hydrochloride
SMILESCl.N[C@H](COc1ccccc1)c1ccccc1
InChIInChI=1S/C14H15NO.ClH/c15-14(12-7-3-1-4-8-12)11-16-13-9-5-2-6-10-13;/h1-10,14H,11,15H2;1H/t14-;/m1./s1
InChIKeyRCNZOUMSVNXHLT-PFEQFJNWSA-N
MW249.74 g/mol
LogP3.19
Rot. Bonds4

About (1S)-2-phenoxy-1-phenylethanamine;hydrochloride

(1S)-2-phenoxy-1-phenylethanamine;hydrochloride (PubChem CID 131882540) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is (1S)-2-phenoxy-1-phenylethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-2-phenoxy-1-phenylethanamine;hydrochloride
PubChem CID131882540
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name(1S)-2-phenoxy-1-phenylethanamine;hydrochloride
SMILESCl.N[C@H](COc1ccccc1)c1ccccc1
InChIInChI=1S/C14H15NO.ClH/c15-14(12-7-3-1-4-8-12)11-16-13-9-5-2-6-10-13;/h1-10,14H,11,15H2;1H/t14-;/m1./s1
InChIKeyRCNZOUMSVNXHLT-PFEQFJNWSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-2-phenoxy-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

Related Compounds

1-(4-fluorophenyl)-2-phenoxyethanamine;hydrochloride
CID 138991019
2-(4-bromophenoxy)-1-phenylethanamine
CID 63771219
2-(3-ethoxyphenoxy)-1-phenylethanamine
CID 62335579
2-(3,4-dimethylphenoxy)-1-phenylethanamine;hydrochloride
CID 162339872
1-[4-(2-methylpropyl)phenyl]-2-phenoxyethanamine
CID 43095754
1-phenyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 164622114
2-(3-tert-butylphenoxy)-1-phenylethanamine
CID 43351796
2-(3-ethylphenoxy)-1-phenylethanamine
CID 43211626
2-(3,4-difluorophenoxy)-1-phenylethanamine
CID 63772754
2-(3,4-dimethylphenoxy)-1-phenylethanamine
CID 16786157
(1S)-2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride
CID 164614673
3-(2-amino-2-phenylethoxy)-5-methoxybenzonitrile
CID 103567459

Frequently Asked Questions

What is the IUPAC name of (1S)-2-phenoxy-1-phenylethanamine;hydrochloride?
The IUPAC name of (1S)-2-phenoxy-1-phenylethanamine;hydrochloride (CID 131882540) is (1S)-2-phenoxy-1-phenylethanamine;hydrochloride.
What is the SMILES notation for (1S)-2-phenoxy-1-phenylethanamine;hydrochloride?
The canonical SMILES for (1S)-2-phenoxy-1-phenylethanamine;hydrochloride is Cl.N[C@H](COc1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-2-phenoxy-1-phenylethanamine;hydrochloride?
The InChIKey is RCNZOUMSVNXHLT-PFEQFJNWSA-N. The full InChI is InChI=1S/C14H15NO.ClH/c15-14(12-7-3-1-4-8-12)11-16-13-9-5-2-6-10-13;/h1-10,14H,11,15H2;1H/t14-;/m1./s1.
What are the key properties of (1S)-2-phenoxy-1-phenylethanamine;hydrochloride?
(1S)-2-phenoxy-1-phenylethanamine;hydrochloride has a molecular weight of 249.74 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-phenoxy-1-phenylethanamine;hydrochloride is sourced from PubChem (CID 131882540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).