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

C11H16FNO2 — CID 171264524

IUPAC(1R,2S)-1-amino-1-(4-fluoro-2-methoxyphenyl)butan-2-ol
SMILESCC[C@H](O)[C@H](N)c1ccc(F)cc1OC
InChIInChI=1S/C11H16FNO2/c1-3-9(14)11(13)8-5-4-7(12)6-10(8)15-2/h4-6,9,11,14H,3,13H2,1-2H3/t9-,11+/m0/s1
InChIKeyWBGNBSIREHSTIO-GXSJLCMTSA-N
MW213.25 g/mol
LogP1.61
Rot. Bonds4

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

(1R,2S)-1-amino-1-(4-fluoro-2-methoxyphenyl)butan-2-ol (PubChem CID 171264524) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(4-fluoro-2-methoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(4-fluoro-2-methoxyphenyl)butan-2-ol
PubChem CID171264524
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name(1R,2S)-1-amino-1-(4-fluoro-2-methoxyphenyl)butan-2-ol
SMILESCC[C@H](O)[C@H](N)c1ccc(F)cc1OC
InChIInChI=1S/C11H16FNO2/c1-3-9(14)11(13)8-5-4-7(12)6-10(8)15-2/h4-6,9,11,14H,3,13H2,1-2H3/t9-,11+/m0/s1
InChIKeyWBGNBSIREHSTIO-GXSJLCMTSA-N
XLogP1.61
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-1-amino-1-(2-methoxyphenyl)butan-2-ol
CID 96622527
(1S,2R)-1-amino-1-(4-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride
CID 171270199
(1S)-1-(4-fluoro-2-methoxyphenyl)propan-1-amine
CID 55253804
(1S,2R)-1-amino-1-(2-chloro-4-fluorophenyl)butan-2-ol
CID 131038068
(1S,2R)-1-amino-1-(2-chloro-4-fluorophenyl)butan-2-ol;hydrochloride
CID 171161362
(1S,2R)-1-amino-1-(2,6-dimethoxyphenyl)butan-2-ol
CID 171267082
(1R,2S)-2-amino-1-cyclopentyl-2-(4-fluoro-2-methoxyphenyl)ethanol
CID 171270206
(1S,2R)-2-amino-1-cyclobutyl-2-(4-fluoro-2-methoxyphenyl)ethanol
CID 171264528
(1R,2S)-1-amino-1-(5-fluoro-2-methoxyphenyl)pentan-2-ol;hydrochloride
CID 171262540
(2R)-2-amino-2-(4-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171224919
(1R,2S)-1-amino-1-(2,5-dimethoxyphenyl)butan-2-ol
CID 96603983
ethyl (3S)-3-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
CID 171224920

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(4-fluoro-2-methoxyphenyl)butan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-(4-fluoro-2-methoxyphenyl)butan-2-ol (CID 171264524) is (1R,2S)-1-amino-1-(4-fluoro-2-methoxyphenyl)butan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-(4-fluoro-2-methoxyphenyl)butan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-(4-fluoro-2-methoxyphenyl)butan-2-ol is CC[C@H](O)[C@H](N)c1ccc(F)cc1OC.
What is the InChIKey of (1R,2S)-1-amino-1-(4-fluoro-2-methoxyphenyl)butan-2-ol?
The InChIKey is WBGNBSIREHSTIO-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-3-9(14)11(13)8-5-4-7(12)6-10(8)15-2/h4-6,9,11,14H,3,13H2,1-2H3/t9-,11+/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-(4-fluoro-2-methoxyphenyl)butan-2-ol?
(1R,2S)-1-amino-1-(4-fluoro-2-methoxyphenyl)butan-2-ol has a molecular weight of 213.25 g/mol, XLogP of 1.61, 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-(4-fluoro-2-methoxyphenyl)butan-2-ol is sourced from PubChem (CID 171264524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).