(2S)-2-amino-2-phenylethanol;methanol

C9H15NO2 — CID 160824062

IUPAC(2S)-2-amino-2-phenylethanol;methanol
SMILESCO.N[C@H](CO)c1ccccc1
InChIInChI=1S/C8H11NO.CH4O/c9-8(6-10)7-4-2-1-3-5-7;1-2/h1-5,8,10H,6,9H2;2H,1H3/t8-;/m1./s1
InChIKeySFXUXAYEQLOVLV-DDWIOCJRSA-N
MW169.22 g/mol
LogP0.29
Rot. Bonds2

About (2S)-2-amino-2-phenylethanol;methanol

(2S)-2-amino-2-phenylethanol;methanol (PubChem CID 160824062) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (2S)-2-amino-2-phenylethanol;methanol.

Molecular Properties

Compound Name(2S)-2-amino-2-phenylethanol;methanol
PubChem CID160824062
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(2S)-2-amino-2-phenylethanol;methanol
SMILESCO.N[C@H](CO)c1ccccc1
InChIInChI=1S/C8H11NO.CH4O/c9-8(6-10)7-4-2-1-3-5-7;1-2/h1-5,8,10H,6,9H2;2H,1H3/t8-;/m1./s1
InChIKeySFXUXAYEQLOVLV-DDWIOCJRSA-N
XLogP0.29
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

zinc;tris((2S)-2-amino-2-phenylethanol);dichloride
CID 175904832
2-amino-2-(3-phenylphenyl)ethanol
CID 77130058
2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride
CID 155487486
4-[(1R)-1-amino-2-hydroxyethyl]phenol
CID 45083049
(1S)-1-phenylpropan-1-amine;hydrochloride
CID 44542268
(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
CID 55278122
(2S)-2-amino-2-phenylethanol;methane;(2S)-2-phenyl-2-(tritylamino)ethanol
CID 158097033
(2S)-2-amino-2-[4-(benzylamino)phenyl]ethanol;hydrochloride
CID 171201573
(1R)-3-methyl-1-phenylbutan-1-amine
CID 2496575
2-amino-2-(4-fluorophenyl)ethanol
CID 14853201
(2S)-2-amino-2-(3-aminophenyl)ethanol
CID 66513825
(2R)-5-amino-5-phenylpentan-2-ol
CID 68757474

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-phenylethanol;methanol?
The IUPAC name of (2S)-2-amino-2-phenylethanol;methanol (CID 160824062) is (2S)-2-amino-2-phenylethanol;methanol.
What is the SMILES notation for (2S)-2-amino-2-phenylethanol;methanol?
The canonical SMILES for (2S)-2-amino-2-phenylethanol;methanol is CO.N[C@H](CO)c1ccccc1.
What is the InChIKey of (2S)-2-amino-2-phenylethanol;methanol?
The InChIKey is SFXUXAYEQLOVLV-DDWIOCJRSA-N. The full InChI is InChI=1S/C8H11NO.CH4O/c9-8(6-10)7-4-2-1-3-5-7;1-2/h1-5,8,10H,6,9H2;2H,1H3/t8-;/m1./s1.
What are the key properties of (2S)-2-amino-2-phenylethanol;methanol?
(2S)-2-amino-2-phenylethanol;methanol has a molecular weight of 169.22 g/mol, XLogP of 0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-phenylethanol;methanol is sourced from PubChem (CID 160824062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).