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

C10H15NO2 — CID 15671931

IUPAC(1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol
SMILESCOc1ccccc1[C@H](O)[C@@H](C)N
InChIInChI=1S/C10H15NO2/c1-7(11)10(12)8-5-3-4-6-9(8)13-2/h3-7,10,12H,11H2,1-2H3/t7-,10-/m1/s1
InChIKeyMSXYXOAJXBSUPP-GMSGAONNSA-N
MW181.23 g/mol
LogP1.08
Rot. Bonds3

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

(1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol (PubChem CID 15671931) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol
PubChem CID15671931
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol
SMILESCOc1ccccc1[C@H](O)[C@@H](C)N
InChIInChI=1S/C10H15NO2/c1-7(11)10(12)8-5-3-4-6-9(8)13-2/h3-7,10,12H,11H2,1-2H3/t7-,10-/m1/s1
InChIKeyMSXYXOAJXBSUPP-GMSGAONNSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol
CID 28743907
methyl (2S,3R)-2-amino-3-hydroxy-3-(2-methoxyphenyl)propanoate
CID 11780290
2-amino-1-[2-(difluoromethyl)-6-methoxyphenyl]propan-1-ol
CID 84694392
1-amino-1-(2-methoxyphenyl)propan-2-ol;hydrochloride
CID 162343351
2-amino-1-(1,4-dimethoxynaphthalen-2-yl)propan-1-ol
CID 22041745
2-amino-1-(4-bromo-2-methoxyphenyl)propan-1-ol
CID 82623849
1-(2-methoxyphenyl)butane-1,2,4-triol
CID 171871923
methyl 2-[hydroxy-(2-methoxyphenyl)methyl]-3-methylbutanoate
CID 62393869
(1R,2R)-2-amino-4-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-3-methylbutan-1-ol
CID 67673862
1-cyclopropyl-2-(2-methoxyphenyl)ethane-1,2-diol
CID 103456830
2-amino-1-(2-chloro-6-methoxyphenyl)propan-1-ol
CID 84681417
(1R,2R)-2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-ol
CID 96760175

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol?
The IUPAC name of (1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol (CID 15671931) is (1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol.
What is the SMILES notation for (1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol?
The canonical SMILES for (1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol is COc1ccccc1[C@H](O)[C@@H](C)N.
What is the InChIKey of (1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol?
The InChIKey is MSXYXOAJXBSUPP-GMSGAONNSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7(11)10(12)8-5-3-4-6-9(8)13-2/h3-7,10,12H,11H2,1-2H3/t7-,10-/m1/s1.
What are the key properties of (1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol?
(1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol has a molecular weight of 181.23 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 15671931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).