(1R,2S)-1-amino-1-(4-fluoro-3-methoxyphenyl)pentan-2-ol

C12H18FNO2 — CID 171159915

IUPAC(1R,2S)-1-amino-1-(4-fluoro-3-methoxyphenyl)pentan-2-ol
SMILESCCC[C@H](O)[C@H](N)c1ccc(F)c(OC)c1
InChIInChI=1S/C12H18FNO2/c1-3-4-10(15)12(14)8-5-6-9(13)11(7-8)16-2/h5-7,10,12,15H,3-4,14H2,1-2H3/t10-,12+/m0/s1
InChIKeyOMTAVCBZEKECDD-CMPLNLGQSA-N
MW227.28 g/mol
LogP2.00
Rot. Bonds5

About (1R,2S)-1-amino-1-(4-fluoro-3-methoxyphenyl)pentan-2-ol

(1R,2S)-1-amino-1-(4-fluoro-3-methoxyphenyl)pentan-2-ol (PubChem CID 171159915) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(4-fluoro-3-methoxyphenyl)pentan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(4-fluoro-3-methoxyphenyl)pentan-2-ol
PubChem CID171159915
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name(1R,2S)-1-amino-1-(4-fluoro-3-methoxyphenyl)pentan-2-ol
SMILESCCC[C@H](O)[C@H](N)c1ccc(F)c(OC)c1
InChIInChI=1S/C12H18FNO2/c1-3-4-10(15)12(14)8-5-6-9(13)11(7-8)16-2/h5-7,10,12,15H,3-4,14H2,1-2H3/t10-,12+/m0/s1
InChIKeyOMTAVCBZEKECDD-CMPLNLGQSA-N
XLogP2.00
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-1-amino-1-(3,4-dimethoxyphenyl)pentan-2-ol;hydrochloride
CID 171162200
1-(4-fluoro-3-methoxyphenyl)-2-methylpentan-1-amine
CID 107894085
(1R,2S)-1-amino-1-(4-fluoro-3-methylphenyl)pentan-2-ol;hydrochloride
CID 171262216
4-[(1S,2R)-1-amino-2-hydroxypentyl]-2-fluorophenol
CID 171161401
(1S,2R)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentan-2-ol
CID 171161304
(1R,2S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]pentan-2-ol
CID 171263562
(1S,2R)-1-amino-1-(4-bromo-3-fluorophenyl)pentan-2-ol
CID 171267227
1-amino-3-(4-fluoro-3-methoxyphenyl)butan-2-ol
CID 83909820
(1S,2R)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentan-2-ol;hydrochloride
CID 171161305
1-(4-fluoro-3-methoxyphenyl)nonan-1-ol
CID 115783950
1-(4-fluoro-3-methoxyphenyl)decan-1-amine
CID 115831321
(1R)-1-(4-fluoro-3-methoxyphenyl)propane-1,3-diamine
CID 171205851

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(4-fluoro-3-methoxyphenyl)pentan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-(4-fluoro-3-methoxyphenyl)pentan-2-ol (CID 171159915) is (1R,2S)-1-amino-1-(4-fluoro-3-methoxyphenyl)pentan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-(4-fluoro-3-methoxyphenyl)pentan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-(4-fluoro-3-methoxyphenyl)pentan-2-ol is CCC[C@H](O)[C@H](N)c1ccc(F)c(OC)c1.
What is the InChIKey of (1R,2S)-1-amino-1-(4-fluoro-3-methoxyphenyl)pentan-2-ol?
The InChIKey is OMTAVCBZEKECDD-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-3-4-10(15)12(14)8-5-6-9(13)11(7-8)16-2/h5-7,10,12,15H,3-4,14H2,1-2H3/t10-,12+/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-(4-fluoro-3-methoxyphenyl)pentan-2-ol?
(1R,2S)-1-amino-1-(4-fluoro-3-methoxyphenyl)pentan-2-ol has a molecular weight of 227.28 g/mol, XLogP of 2.00, 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-(4-fluoro-3-methoxyphenyl)pentan-2-ol is sourced from PubChem (CID 171159915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).