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

C13H21ClFNO2 — CID 171267207

IUPAC(1S,2R)-1-amino-1-(3-fluoro-2-methoxyphenyl)hexan-2-ol;hydrochloride
SMILESCCCC[C@@H](O)[C@@H](N)c1cccc(F)c1OC.Cl
InChIInChI=1S/C13H20FNO2.ClH/c1-3-4-8-11(16)12(15)9-6-5-7-10(14)13(9)17-2;/h5-7,11-12,16H,3-4,8,15H2,1-2H3;1H/t11-,12+;/m1./s1
InChIKeyGNSGUCLHUTXSAD-LYCTWNKOSA-N
MW277.77 g/mol
LogP2.81
Rot. Bonds6

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

(1S,2R)-1-amino-1-(3-fluoro-2-methoxyphenyl)hexan-2-ol;hydrochloride (PubChem CID 171267207) has the molecular formula C13H21ClFNO2 and a molecular weight of 277.77 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(3-fluoro-2-methoxyphenyl)hexan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(3-fluoro-2-methoxyphenyl)hexan-2-ol;hydrochloride
PubChem CID171267207
Molecular FormulaC13H21ClFNO2
Molecular Weight277.77 g/mol
Exact Mass277.12
IUPAC Name(1S,2R)-1-amino-1-(3-fluoro-2-methoxyphenyl)hexan-2-ol;hydrochloride
SMILESCCCC[C@@H](O)[C@@H](N)c1cccc(F)c1OC.Cl
InChIInChI=1S/C13H20FNO2.ClH/c1-3-4-8-11(16)12(15)9-6-5-7-10(14)13(9)17-2;/h5-7,11-12,16H,3-4,8,15H2,1-2H3;1H/t11-,12+;/m1./s1
InChIKeyGNSGUCLHUTXSAD-LYCTWNKOSA-N
XLogP2.81
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 171261502
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CID 171260987
(1R)-1-(3-fluoro-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171201759
(2R,3R)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride
CID 171261516
2-[(1R,2S)-1-amino-2-hydroxypentyl]-6-fluorophenol;hydrochloride
CID 171260986
(1R,2S)-1-amino-1-pyren-1-ylhexan-2-ol;hydrochloride
CID 171266345
(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
(1S,2R)-1-amino-1-(1H-indol-4-yl)hexan-2-ol
CID 171268241
(1S)-1-(3-fluoro-2-methoxyphenyl)butane-1,4-diamine
CID 171221260
(1S)-3-fluoro-1-(3-fluoro-2-methoxyphenyl)propan-1-amine
CID 171221280
(1R,2R)-2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-ol
CID 96760175

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(3-fluoro-2-methoxyphenyl)hexan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-1-amino-1-(3-fluoro-2-methoxyphenyl)hexan-2-ol;hydrochloride (CID 171267207) is (1S,2R)-1-amino-1-(3-fluoro-2-methoxyphenyl)hexan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-1-amino-1-(3-fluoro-2-methoxyphenyl)hexan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-1-amino-1-(3-fluoro-2-methoxyphenyl)hexan-2-ol;hydrochloride is CCCC[C@@H](O)[C@@H](N)c1cccc(F)c1OC.Cl.
What is the InChIKey of (1S,2R)-1-amino-1-(3-fluoro-2-methoxyphenyl)hexan-2-ol;hydrochloride?
The InChIKey is GNSGUCLHUTXSAD-LYCTWNKOSA-N. The full InChI is InChI=1S/C13H20FNO2.ClH/c1-3-4-8-11(16)12(15)9-6-5-7-10(14)13(9)17-2;/h5-7,11-12,16H,3-4,8,15H2,1-2H3;1H/t11-,12+;/m1./s1.
What are the key properties of (1S,2R)-1-amino-1-(3-fluoro-2-methoxyphenyl)hexan-2-ol;hydrochloride?
(1S,2R)-1-amino-1-(3-fluoro-2-methoxyphenyl)hexan-2-ol;hydrochloride has a molecular weight of 277.77 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(3-fluoro-2-methoxyphenyl)hexan-2-ol;hydrochloride is sourced from PubChem (CID 171267207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).