(1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol

C10H14FNO2 — CID 131150420

IUPAC(1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(F)cc1[C@H](N)C(C)O
InChIInChI=1S/C10H14FNO2/c1-6(13)10(12)8-5-7(11)3-4-9(8)14-2/h3-6,10,13H,12H2,1-2H3/t6?,10-/m1/s1
InChIKeyQDBSKZMELBFHAG-PHUNFMHTSA-N
MW199.22 g/mol
LogP1.21
Rot. Bonds3

About (1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol

(1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol (PubChem CID 131150420) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is (1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name(1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
PubChem CID131150420
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name(1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(F)cc1[C@H](N)C(C)O
InChIInChI=1S/C10H14FNO2/c1-6(13)10(12)8-5-7(11)3-4-9(8)14-2/h3-6,10,13H,12H2,1-2H3/t6?,10-/m1/s1
InChIKeyQDBSKZMELBFHAG-PHUNFMHTSA-N
XLogP1.21
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 96620692
(1S,2R)-1-amino-1-(4-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride
CID 171270199
(1S,2R)-1-amino-1-(5-fluoro-2-methoxyphenyl)-3-methylpentan-2-ol;hydrochloride
CID 171268211
3-(5-fluoro-2-methoxyphenyl)butan-2-ol
CID 82781916
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
(1R,2S)-1-amino-1-(5-fluoro-2-methoxyphenyl)-5-methylhexan-2-ol
CID 171262543
(1R,2S)-1-amino-1-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171262534
1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55273473
3-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol
CID 131000809
(1S,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55271368
(1R,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol;hydrochloride
CID 171262633
(1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)propan-2-ol
CID 130749346

Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol?
The IUPAC name of (1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol (CID 131150420) is (1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol.
What is the SMILES notation for (1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol?
The canonical SMILES for (1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol is COc1ccc(F)cc1[C@H](N)C(C)O.
What is the InChIKey of (1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol?
The InChIKey is QDBSKZMELBFHAG-PHUNFMHTSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-6(13)10(12)8-5-7(11)3-4-9(8)14-2/h3-6,10,13H,12H2,1-2H3/t6?,10-/m1/s1.
What are the key properties of (1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol?
(1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol has a molecular weight of 199.22 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 131150420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).