(1S,2R)-1-amino-1-(3-fluorophenyl)-3-methylbutan-2-ol;hydrochloride

C11H17ClFNO — CID 171161576

IUPAC(1S,2R)-1-amino-1-(3-fluorophenyl)-3-methylbutan-2-ol;hydrochloride
SMILESCC(C)[C@@H](O)[C@@H](N)c1cccc(F)c1.Cl
InChIInChI=1S/C11H16FNO.ClH/c1-7(2)11(14)10(13)8-4-3-5-9(12)6-8;/h3-7,10-11,14H,13H2,1-2H3;1H/t10-,11+;/m0./s1
InChIKeyGSWBJJFPOTUIOC-VZXYPILPSA-N
MW233.71 g/mol
LogP2.26
Rot. Bonds3

About (1S,2R)-1-amino-1-(3-fluorophenyl)-3-methylbutan-2-ol;hydrochloride

(1S,2R)-1-amino-1-(3-fluorophenyl)-3-methylbutan-2-ol;hydrochloride (PubChem CID 171161576) has the molecular formula C11H17ClFNO and a molecular weight of 233.71 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(3-fluorophenyl)-3-methylbutan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(3-fluorophenyl)-3-methylbutan-2-ol;hydrochloride
PubChem CID171161576
Molecular FormulaC11H17ClFNO
Molecular Weight233.71 g/mol
Exact Mass233.10
IUPAC Name(1S,2R)-1-amino-1-(3-fluorophenyl)-3-methylbutan-2-ol;hydrochloride
SMILESCC(C)[C@@H](O)[C@@H](N)c1cccc(F)c1.Cl
InChIInChI=1S/C11H16FNO.ClH/c1-7(2)11(14)10(13)8-4-3-5-9(12)6-8;/h3-7,10-11,14H,13H2,1-2H3;1H/t10-,11+;/m0./s1
InChIKeyGSWBJJFPOTUIOC-VZXYPILPSA-N
XLogP2.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.71
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(3-fluorophenyl)-3-methylbutan-1-ol
CID 82282052
(1S)-2,2-difluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171245936
(1R,2S)-1-amino-1-(3-fluorophenyl)-4-methylpentan-2-ol
CID 171160142
(1R,2S)-1-amino-1-(3-fluorophenyl)butan-2-ol
CID 131021466
(1S,2R)-1-amino-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-2-ol;hydrochloride
CID 171161785
2,2-difluoro-1-(3-fluorophenyl)ethanamine
CID 79002278
(1R,2R)-1-fluoro-1-(3-fluorophenyl)propan-2-ol
CID 122372146
4-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-2-fluorophenol
CID 131484001
1-(3-fluorophenyl)-2-methoxypropan-1-amine
CID 79616556
(1S,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylbutan-2-ol;hydrochloride
CID 171268937
(1R,2S)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylbutan-2-ol;hydrochloride
CID 171263263
1-amino-2-(3-fluorophenyl)-4,5-dimethylhexan-3-ol
CID 65190542

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(3-fluorophenyl)-3-methylbutan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-1-amino-1-(3-fluorophenyl)-3-methylbutan-2-ol;hydrochloride (CID 171161576) is (1S,2R)-1-amino-1-(3-fluorophenyl)-3-methylbutan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-1-amino-1-(3-fluorophenyl)-3-methylbutan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-1-amino-1-(3-fluorophenyl)-3-methylbutan-2-ol;hydrochloride is CC(C)[C@@H](O)[C@@H](N)c1cccc(F)c1.Cl.
What is the InChIKey of (1S,2R)-1-amino-1-(3-fluorophenyl)-3-methylbutan-2-ol;hydrochloride?
The InChIKey is GSWBJJFPOTUIOC-VZXYPILPSA-N. The full InChI is InChI=1S/C11H16FNO.ClH/c1-7(2)11(14)10(13)8-4-3-5-9(12)6-8;/h3-7,10-11,14H,13H2,1-2H3;1H/t10-,11+;/m0./s1.
What are the key properties of (1S,2R)-1-amino-1-(3-fluorophenyl)-3-methylbutan-2-ol;hydrochloride?
(1S,2R)-1-amino-1-(3-fluorophenyl)-3-methylbutan-2-ol;hydrochloride has a molecular weight of 233.71 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(3-fluorophenyl)-3-methylbutan-2-ol;hydrochloride is sourced from PubChem (CID 171161576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).