1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol

C10H14FNO2 — CID 55273473

IUPAC1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
SMILESCOc1cccc(C(N)C(C)O)c1F
InChIInChI=1S/C10H14FNO2/c1-6(13)10(12)7-4-3-5-8(14-2)9(7)11/h3-6,10,13H,12H2,1-2H3
InChIKeyBTILGAGIZREKDE-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.21
Rot. Bonds3

About 1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol

1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol (PubChem CID 55273473) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
PubChem CID55273473
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
SMILESCOc1cccc(C(N)C(C)O)c1F
InChIInChI=1S/C10H14FNO2/c1-6(13)10(12)7-4-3-5-8(14-2)9(7)11/h3-6,10,13H,12H2,1-2H3
InChIKeyBTILGAGIZREKDE-UHFFFAOYSA-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,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-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-ol;hydrochloride
CID 171268318
1-amino-1-(2-methoxyphenyl)propan-2-ol;hydrochloride
CID 162343351
(1S,2S)-1-amino-1-(3-amino-2-fluorophenyl)propan-2-ol
CID 131123791
(1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171162154
(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
2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 112575477
1-amino-1-(2,3-difluorophenyl)propan-2-ol
CID 55273515
(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171261396
(1S)-1-amino-1-(2-fluoro-3-methylphenyl)propan-2-ol
CID 131081645

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol (CID 55273473) is 1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol is COc1cccc(C(N)C(C)O)c1F.
What is the InChIKey of 1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol?
The InChIKey is BTILGAGIZREKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-6(13)10(12)7-4-3-5-8(14-2)9(7)11/h3-6,10,13H,12H2,1-2H3.
What are the key properties of 1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol?
1-amino-1-(2-fluoro-3-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 1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 55273473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).