(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol;hydrochloride

C10H16ClNO — CID 9581

IUPAC(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol;hydrochloride
SMILESCN[C@@H](C)[C@@H](O)c1ccccc1.Cl
InChIInChI=1S/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H/t8-,10+;/m0./s1
InChIKeyBALXUFOVQVENIU-KXNXZCPBSA-N
MW201.70 g/mol
LogP1.75
Rot. Bonds3

About (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol;hydrochloride

(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol;hydrochloride (PubChem CID 9581) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol;hydrochloride
PubChem CID9581
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol;hydrochloride
SMILESCN[C@@H](C)[C@@H](O)c1ccccc1.Cl
InChIInChI=1S/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H/t8-,10+;/m0./s1
InChIKeyBALXUFOVQVENIU-KXNXZCPBSA-N
XLogP1.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol;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 (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol;hydrochloride?
The IUPAC name of (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol;hydrochloride (CID 9581) is (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol;hydrochloride.
What is the SMILES notation for (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol;hydrochloride?
The canonical SMILES for (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol;hydrochloride is CN[C@@H](C)[C@@H](O)c1ccccc1.Cl.
What is the InChIKey of (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol;hydrochloride?
The InChIKey is BALXUFOVQVENIU-KXNXZCPBSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H/t8-,10+;/m0./s1.
What are the key properties of (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol;hydrochloride?
(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol;hydrochloride is sourced from PubChem (CID 9581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).