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

C11H17ClFNO2 — CID 171261502

IUPAC(1R,2S)-1-amino-1-(3-fluoro-2-methoxyphenyl)butan-2-ol;hydrochloride
SMILESCC[C@H](O)[C@H](N)c1cccc(F)c1OC.Cl
InChIInChI=1S/C11H16FNO2.ClH/c1-3-9(14)10(13)7-5-4-6-8(12)11(7)15-2;/h4-6,9-10,14H,3,13H2,1-2H3;1H/t9-,10+;/m0./s1
InChIKeyAAMVZBYQBDTHLO-BAUSSPIASA-N
MW249.71 g/mol
LogP2.03
Rot. Bonds4

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

(1R,2S)-1-amino-1-(3-fluoro-2-methoxyphenyl)butan-2-ol;hydrochloride (PubChem CID 171261502) has the molecular formula C11H17ClFNO2 and a molecular weight of 249.71 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(3-fluoro-2-methoxyphenyl)butan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(3-fluoro-2-methoxyphenyl)butan-2-ol;hydrochloride
PubChem CID171261502
Molecular FormulaC11H17ClFNO2
Molecular Weight249.71 g/mol
Exact Mass249.09
IUPAC Name(1R,2S)-1-amino-1-(3-fluoro-2-methoxyphenyl)butan-2-ol;hydrochloride
SMILESCC[C@H](O)[C@H](N)c1cccc(F)c1OC.Cl
InChIInChI=1S/C11H16FNO2.ClH/c1-3-9(14)10(13)7-5-4-6-8(12)11(7)15-2;/h4-6,9-10,14H,3,13H2,1-2H3;1H/t9-,10+;/m0./s1
InChIKeyAAMVZBYQBDTHLO-BAUSSPIASA-N
XLogP2.03
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.71
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-1-amino-1-(3-fluoro-2-methoxyphenyl)hexan-2-ol;hydrochloride
CID 171267207
(1R)-1-(3-fluoro-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171201759
(1R,2S)-1-amino-1-(2-fluorophenyl)butan-2-ol;hydrochloride
CID 171160706
(2R,3R)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride
CID 171261516
(2R)-2-amino-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 121235718
(1S,2R)-2-amino-1-cyclopentyl-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171261508
(1R,2R)-2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-ol
CID 96760175
(1R,2S)-1-amino-1-(2-methoxyphenyl)butan-2-ol
CID 96622527
(1R,2S)-1-amino-1-naphthalen-1-ylbutan-2-ol
CID 171161126
(1S)-3-fluoro-1-(3-fluoro-2-methoxyphenyl)propan-1-amine
CID 171221280
(1S,2R)-1-amino-1-(2,6-dimethoxyphenyl)butan-2-ol
CID 171267082
(1R,2S)-1-amino-1-(3-bromo-2-fluorophenyl)butan-2-ol
CID 130785366

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(3-fluoro-2-methoxyphenyl)butan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-1-(3-fluoro-2-methoxyphenyl)butan-2-ol;hydrochloride (CID 171261502) is (1R,2S)-1-amino-1-(3-fluoro-2-methoxyphenyl)butan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-1-(3-fluoro-2-methoxyphenyl)butan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-1-(3-fluoro-2-methoxyphenyl)butan-2-ol;hydrochloride is CC[C@H](O)[C@H](N)c1cccc(F)c1OC.Cl.
What is the InChIKey of (1R,2S)-1-amino-1-(3-fluoro-2-methoxyphenyl)butan-2-ol;hydrochloride?
The InChIKey is AAMVZBYQBDTHLO-BAUSSPIASA-N. The full InChI is InChI=1S/C11H16FNO2.ClH/c1-3-9(14)10(13)7-5-4-6-8(12)11(7)15-2;/h4-6,9-10,14H,3,13H2,1-2H3;1H/t9-,10+;/m0./s1.
What are the key properties of (1R,2S)-1-amino-1-(3-fluoro-2-methoxyphenyl)butan-2-ol;hydrochloride?
(1R,2S)-1-amino-1-(3-fluoro-2-methoxyphenyl)butan-2-ol;hydrochloride has a molecular weight of 249.71 g/mol, XLogP of 2.03, 4 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-(3-fluoro-2-methoxyphenyl)butan-2-ol;hydrochloride is sourced from PubChem (CID 171261502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).