(1R,2S)-1-amino-1-(5-fluoro-2-methoxyphenyl)pentan-2-ol;hydrochloride

C12H19ClFNO2 — CID 171262540

IUPAC(1R,2S)-1-amino-1-(5-fluoro-2-methoxyphenyl)pentan-2-ol;hydrochloride
SMILESCCC[C@H](O)[C@H](N)c1cc(F)ccc1OC.Cl
InChIInChI=1S/C12H18FNO2.ClH/c1-3-4-10(15)12(14)9-7-8(13)5-6-11(9)16-2;/h5-7,10,12,15H,3-4,14H2,1-2H3;1H/t10-,12+;/m0./s1
InChIKeyOZAUIAARQXCTIL-XOZOLZJESA-N
MW263.74 g/mol
LogP2.42
Rot. Bonds5

About (1R,2S)-1-amino-1-(5-fluoro-2-methoxyphenyl)pentan-2-ol;hydrochloride

(1R,2S)-1-amino-1-(5-fluoro-2-methoxyphenyl)pentan-2-ol;hydrochloride (PubChem CID 171262540) has the molecular formula C12H19ClFNO2 and a molecular weight of 263.74 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(5-fluoro-2-methoxyphenyl)pentan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(5-fluoro-2-methoxyphenyl)pentan-2-ol;hydrochloride
PubChem CID171262540
Molecular FormulaC12H19ClFNO2
Molecular Weight263.74 g/mol
Exact Mass263.11
IUPAC Name(1R,2S)-1-amino-1-(5-fluoro-2-methoxyphenyl)pentan-2-ol;hydrochloride
SMILESCCC[C@H](O)[C@H](N)c1cc(F)ccc1OC.Cl
InChIInChI=1S/C12H18FNO2.ClH/c1-3-4-10(15)12(14)9-7-8(13)5-6-11(9)16-2;/h5-7,10,12,15H,3-4,14H2,1-2H3;1H/t10-,12+;/m0./s1
InChIKeyOZAUIAARQXCTIL-XOZOLZJESA-N
XLogP2.42
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-1-amino-1-(5-fluoro-2-methoxyphenyl)-5-methylhexan-2-ol
CID 171262543
(1S,2R)-1-amino-1-(5-fluoro-2-methoxyphenyl)-3-methylpentan-2-ol;hydrochloride
CID 171268211
(1S,2R)-1-amino-1-(2,5-difluorophenyl)pentan-2-ol
CID 171161723
(1R,2S)-1-amino-1-(2,5-difluorophenyl)pentan-2-ol
CID 171160289
(1S,2R)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 96620692
(1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 131150420
1-(5-fluoro-2-methoxyphenyl)butane-1,2-diamine
CID 165347841
ethyl (3R)-3-amino-2-fluoro-3-(5-fluoro-2-methoxyphenyl)propanoate
CID 171241430
(1R,2S)-1-amino-1-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171262534
(1S,2R)-1-amino-1-(4-bromo-2,5-dimethoxyphenyl)pentan-2-ol;hydrochloride
CID 171271146
(1R,2S)-1-amino-1-(4-bromo-2,5-dimethoxyphenyl)pentan-2-ol;hydrochloride
CID 171265473
(1R,2S)-1-amino-1-(4-fluoro-2-methoxyphenyl)butan-2-ol
CID 171264524

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(5-fluoro-2-methoxyphenyl)pentan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-1-(5-fluoro-2-methoxyphenyl)pentan-2-ol;hydrochloride (CID 171262540) is (1R,2S)-1-amino-1-(5-fluoro-2-methoxyphenyl)pentan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-1-(5-fluoro-2-methoxyphenyl)pentan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-1-(5-fluoro-2-methoxyphenyl)pentan-2-ol;hydrochloride is CCC[C@H](O)[C@H](N)c1cc(F)ccc1OC.Cl.
What is the InChIKey of (1R,2S)-1-amino-1-(5-fluoro-2-methoxyphenyl)pentan-2-ol;hydrochloride?
The InChIKey is OZAUIAARQXCTIL-XOZOLZJESA-N. The full InChI is InChI=1S/C12H18FNO2.ClH/c1-3-4-10(15)12(14)9-7-8(13)5-6-11(9)16-2;/h5-7,10,12,15H,3-4,14H2,1-2H3;1H/t10-,12+;/m0./s1.
What are the key properties of (1R,2S)-1-amino-1-(5-fluoro-2-methoxyphenyl)pentan-2-ol;hydrochloride?
(1R,2S)-1-amino-1-(5-fluoro-2-methoxyphenyl)pentan-2-ol;hydrochloride has a molecular weight of 263.74 g/mol, XLogP of 2.42, 5 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-(5-fluoro-2-methoxyphenyl)pentan-2-ol;hydrochloride is sourced from PubChem (CID 171262540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).