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

C10H15ClFNO2 — CID 171262633

IUPAC(1R,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol;hydrochloride
SMILESCOc1cccc([C@@H](N)[C@H](C)O)c1F.Cl
InChIInChI=1S/C10H14FNO2.ClH/c1-6(13)10(12)7-4-3-5-8(14-2)9(7)11;/h3-6,10,13H,12H2,1-2H3;1H/t6-,10-;/m0./s1
InChIKeyDEQREWAPHQNOPG-XIWGLMHNSA-N
MW235.69 g/mol
LogP1.64
Rot. Bonds3

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

(1R,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol;hydrochloride (PubChem CID 171262633) has the molecular formula C10H15ClFNO2 and a molecular weight of 235.69 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol;hydrochloride
PubChem CID171262633
Molecular FormulaC10H15ClFNO2
Molecular Weight235.69 g/mol
Exact Mass235.08
IUPAC Name(1R,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol;hydrochloride
SMILESCOc1cccc([C@@H](N)[C@H](C)O)c1F.Cl
InChIInChI=1S/C10H14FNO2.ClH/c1-6(13)10(12)7-4-3-5-8(14-2)9(7)11;/h3-6,10,13H,12H2,1-2H3;1H/t6-,10-;/m0./s1
InChIKeyDEQREWAPHQNOPG-XIWGLMHNSA-N
XLogP1.64
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-fluoro-3-methoxyphenyl)-3-methylbutan-2-ol;hydrochloride
CID 171268318
1-amino-1-(2-methoxyphenyl)propan-2-ol;hydrochloride
CID 162343351
(1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171162154
(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171261396
(1S,2S)-1-amino-1-(3-amino-2-fluorophenyl)propan-2-ol
CID 131123791
(1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 131150420
(1S,2R)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 96620692
2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 112575477
1-amino-1-(2,3-difluorophenyl)propan-2-ol
CID 55273515
(1S)-1-amino-1-(2-fluoro-3-methylphenyl)propan-2-ol
CID 131081645

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol;hydrochloride (CID 171262633) is (1R,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol;hydrochloride is COc1cccc([C@@H](N)[C@H](C)O)c1F.Cl.
What is the InChIKey of (1R,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol;hydrochloride?
The InChIKey is DEQREWAPHQNOPG-XIWGLMHNSA-N. The full InChI is InChI=1S/C10H14FNO2.ClH/c1-6(13)10(12)7-4-3-5-8(14-2)9(7)11;/h3-6,10,13H,12H2,1-2H3;1H/t6-,10-;/m0./s1.
What are the key properties of (1R,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol;hydrochloride?
(1R,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol;hydrochloride has a molecular weight of 235.69 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol;hydrochloride is sourced from PubChem (CID 171262633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).