(2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol

C10H15NO2 — CID 55277390

IUPAC(2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol
SMILESCOc1ccccc1[C@](C)(N)CO
InChIInChI=1S/C10H15NO2/c1-10(11,7-12)8-5-3-4-6-9(8)13-2/h3-6,12H,7,11H2,1-2H3/t10-/m1/s1
InChIKeyHFOWOHFOVDSFOF-SNVBAGLBSA-N
MW181.23 g/mol
LogP0.86
Rot. Bonds3

About (2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol

(2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol (PubChem CID 55277390) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol
PubChem CID55277390
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol
SMILESCOc1ccccc1[C@](C)(N)CO
InChIInChI=1S/C10H15NO2/c1-10(11,7-12)8-5-3-4-6-9(8)13-2/h3-6,12H,7,11H2,1-2H3/t10-/m1/s1
InChIKeyHFOWOHFOVDSFOF-SNVBAGLBSA-N
XLogP0.86
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(4-fluoro-2-methoxyphenyl)propan-1-ol
CID 55273470
2-(2-methoxyphenyl)-4-phenylbutan-2-amine
CID 54918972
2-amino-3-hydroxy-2-(2-methoxyphenyl)propanoic acid
CID 22456431
(2S)-2-(2-methoxyphenyl)butan-2-ol
CID 93303591
(2S)-2-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol
CID 131076413
2-amino-2-[2-(hydroxymethyl)phenyl]propan-1-ol
CID 55293123
2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994
(2R)-2-amino-2-(2-methoxy-6-methylphenyl)propan-1-ol
CID 55268996
3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol
CID 606344
(2S)-2-amino-2-(2-fluorophenyl)propan-1-ol
CID 90016000
1-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenyl)propan-2-amine
CID 62620710
2-fluoro-2-(2-methoxyphenyl)propan-1-amine
CID 84718782

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol?
The IUPAC name of (2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol (CID 55277390) is (2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol.
What is the SMILES notation for (2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol?
The canonical SMILES for (2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol is COc1ccccc1[C@](C)(N)CO.
What is the InChIKey of (2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol?
The InChIKey is HFOWOHFOVDSFOF-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H15NO2/c1-10(11,7-12)8-5-3-4-6-9(8)13-2/h3-6,12H,7,11H2,1-2H3/t10-/m1/s1.
What are the key properties of (2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol?
(2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol has a molecular weight of 181.23 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 55277390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).