(1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol

C11H17NO3 — CID 28743907

IUPAC(1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol
SMILESCOc1cccc([C@@H](O)[C@H](C)N)c1OC
InChIInChI=1S/C11H17NO3/c1-7(12)10(13)8-5-4-6-9(14-2)11(8)15-3/h4-7,10,13H,12H2,1-3H3/t7-,10-/m0/s1
InChIKeyGWLPOWLUMAKGCV-XVKPBYJWSA-N
MW211.26 g/mol
LogP1.08
Rot. Bonds4

About (1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol

(1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol (PubChem CID 28743907) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is (1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol
PubChem CID28743907
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name(1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol
SMILESCOc1cccc([C@@H](O)[C@H](C)N)c1OC
InChIInChI=1S/C11H17NO3/c1-7(12)10(13)8-5-4-6-9(14-2)11(8)15-3/h4-7,10,13H,12H2,1-3H3/t7-,10-/m0/s1
InChIKeyGWLPOWLUMAKGCV-XVKPBYJWSA-N
XLogP1.08
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol
CID 15671931
(1R,2R)-2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-ol
CID 96760175
(1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171162154
(1S)-1-(2,3-dimethoxyphenyl)-2-methylpropan-1-amine
CID 97011790
2-amino-1-[2-(difluoromethyl)-6-methoxyphenyl]propan-1-ol
CID 84694392
(2S)-2-amino-2-(2,3-dimethoxyphenyl)ethanol
CID 55278202
2-amino-1-(1,4-dimethoxynaphthalen-2-yl)propan-1-ol
CID 22041745
(1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)-5-methylhexan-2-ol
CID 171266758
ethyl 2-[(2,3-dimethoxyphenyl)-hydroxymethyl]-3-methylbutanoate
CID 62397786
4-amino-3-(2,3-dimethoxyphenyl)pentanoic acid
CID 66096873
(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 55278892
(1S)-1-(2,3-dimethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171218798

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol?
The IUPAC name of (1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol (CID 28743907) is (1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol.
What is the SMILES notation for (1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol?
The canonical SMILES for (1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol is COc1cccc([C@@H](O)[C@H](C)N)c1OC.
What is the InChIKey of (1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol?
The InChIKey is GWLPOWLUMAKGCV-XVKPBYJWSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7(12)10(13)8-5-4-6-9(14-2)11(8)15-3/h4-7,10,13H,12H2,1-3H3/t7-,10-/m0/s1.
What are the key properties of (1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol?
(1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol has a molecular weight of 211.26 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol is sourced from PubChem (CID 28743907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).