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

C11H18ClNO3 — CID 171162154

IUPAC(1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)propan-2-ol;hydrochloride
SMILESCOc1cccc([C@H](N)[C@@H](C)O)c1OC.Cl
InChIInChI=1S/C11H17NO3.ClH/c1-7(13)10(12)8-5-4-6-9(14-2)11(8)15-3;/h4-7,10,13H,12H2,1-3H3;1H/t7-,10-;/m1./s1
InChIKeyPABYLMVFKJZXTF-YZUKSGEXSA-N
MW247.72 g/mol
LogP1.51
Rot. Bonds4

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

(1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)propan-2-ol;hydrochloride (PubChem CID 171162154) has the molecular formula C11H18ClNO3 and a molecular weight of 247.72 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)propan-2-ol;hydrochloride
PubChem CID171162154
Molecular FormulaC11H18ClNO3
Molecular Weight247.72 g/mol
Exact Mass247.10
IUPAC Name(1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)propan-2-ol;hydrochloride
SMILESCOc1cccc([C@H](N)[C@@H](C)O)c1OC.Cl
InChIInChI=1S/C11H17NO3.ClH/c1-7(13)10(12)8-5-4-6-9(14-2)11(8)15-3;/h4-7,10,13H,12H2,1-3H3;1H/t7-,10-;/m1./s1
InChIKeyPABYLMVFKJZXTF-YZUKSGEXSA-N
XLogP1.51
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-1-(2-methoxyphenyl)propan-2-ol;hydrochloride
CID 162343351
(1S)-1-(2,3-dimethoxyphenyl)-2-methylpropan-1-amine
CID 97011790
(1R,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol;hydrochloride
CID 171262633
3-[(1S,2R)-1-amino-2-hydroxypropyl]-2-methoxyphenol
CID 130664696
(1S)-1-(2,3-dimethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171218798
(1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol
CID 28743907
1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55273473
(1S,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55271368
(1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)-5-methylhexan-2-ol
CID 171266758
(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171261396
(1R,2S)-2-amino-1-cyclopentyl-2-(2,3-dimethoxyphenyl)ethanol
CID 171162145
(1S,2R)-1-amino-1-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-ol;hydrochloride
CID 171268318

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)propan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)propan-2-ol;hydrochloride (CID 171162154) is (1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)propan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)propan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)propan-2-ol;hydrochloride is COc1cccc([C@H](N)[C@@H](C)O)c1OC.Cl.
What is the InChIKey of (1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)propan-2-ol;hydrochloride?
The InChIKey is PABYLMVFKJZXTF-YZUKSGEXSA-N. The full InChI is InChI=1S/C11H17NO3.ClH/c1-7(13)10(12)8-5-4-6-9(14-2)11(8)15-3;/h4-7,10,13H,12H2,1-3H3;1H/t7-,10-;/m1./s1.
What are the key properties of (1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)propan-2-ol;hydrochloride?
(1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)propan-2-ol;hydrochloride has a molecular weight of 247.72 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)propan-2-ol;hydrochloride is sourced from PubChem (CID 171162154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).