(2S)-2-(methylamino)-2-phenylethanol;hydrochloride

C9H14ClNO — CID 91844858

IUPAC(2S)-2-(methylamino)-2-phenylethanol;hydrochloride
SMILESCN[C@H](CO)c1ccccc1.Cl
InChIInChI=1S/C9H13NO.ClH/c1-10-9(7-11)8-5-3-2-4-6-8;/h2-6,9-11H,7H2,1H3;1H/t9-;/m1./s1
InChIKeyPUYJUPCZJUYIKT-SBSPUUFOSA-N
MW187.67 g/mol
LogP1.36
Rot. Bonds3

About (2S)-2-(methylamino)-2-phenylethanol;hydrochloride

(2S)-2-(methylamino)-2-phenylethanol;hydrochloride (PubChem CID 91844858) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is (2S)-2-(methylamino)-2-phenylethanol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(methylamino)-2-phenylethanol;hydrochloride
PubChem CID91844858
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC Name(2S)-2-(methylamino)-2-phenylethanol;hydrochloride
SMILESCN[C@H](CO)c1ccccc1.Cl
InChIInChI=1S/C9H13NO.ClH/c1-10-9(7-11)8-5-3-2-4-6-8;/h2-6,9-11H,7H2,1H3;1H/t9-;/m1./s1
InChIKeyPUYJUPCZJUYIKT-SBSPUUFOSA-N
XLogP1.36
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-2-phenylethanol;hydrochloride?
The IUPAC name of (2S)-2-(methylamino)-2-phenylethanol;hydrochloride (CID 91844858) is (2S)-2-(methylamino)-2-phenylethanol;hydrochloride.
What is the SMILES notation for (2S)-2-(methylamino)-2-phenylethanol;hydrochloride?
The canonical SMILES for (2S)-2-(methylamino)-2-phenylethanol;hydrochloride is CN[C@H](CO)c1ccccc1.Cl.
What is the InChIKey of (2S)-2-(methylamino)-2-phenylethanol;hydrochloride?
The InChIKey is PUYJUPCZJUYIKT-SBSPUUFOSA-N. The full InChI is InChI=1S/C9H13NO.ClH/c1-10-9(7-11)8-5-3-2-4-6-8;/h2-6,9-11H,7H2,1H3;1H/t9-;/m1./s1.
What are the key properties of (2S)-2-(methylamino)-2-phenylethanol;hydrochloride?
(2S)-2-(methylamino)-2-phenylethanol;hydrochloride has a molecular weight of 187.67 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-2-phenylethanol;hydrochloride is sourced from PubChem (CID 91844858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).