2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol

C9H12FNO2 — CID 55272766

IUPAC2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(N)CO)c(F)c1
InChIInChI=1S/C9H12FNO2/c1-13-6-2-3-7(8(10)4-6)9(11)5-12/h2-4,9,12H,5,11H2,1H3
InChIKeyVLJUIYMCMQFPJT-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.83
Rot. Bonds3

About 2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol

2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol (PubChem CID 55272766) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
PubChem CID55272766
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(N)CO)c(F)c1
InChIInChI=1S/C9H12FNO2/c1-13-6-2-3-7(8(10)4-6)9(11)5-12/h2-4,9,12H,5,11H2,1H3
InChIKeyVLJUIYMCMQFPJT-UHFFFAOYSA-N
XLogP0.83
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride
CID 171229266
(1S)-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine
CID 171219591
(4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol
CID 171219632
1-(2-fluoro-4-methoxyphenyl)-3,3-dimethylbutan-1-amine
CID 43561213
(1R)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine
CID 171200097
ethyl 3-amino-3-(2-fluoro-4-methoxyphenyl)propanoate
CID 165347738
(2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol
CID 66514098
2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
CID 162344444
(1R)-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171200074
(2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171227759
1-(2-fluoro-4-methoxyphenyl)-4-methoxybutan-1-amine
CID 114856693
(1S)-1-(2-fluoro-4-methoxyphenyl)but-3-en-1-amine
CID 55269234

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol?
The IUPAC name of 2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol (CID 55272766) is 2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol?
The canonical SMILES for 2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol is COc1ccc(C(N)CO)c(F)c1.
What is the InChIKey of 2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol?
The InChIKey is VLJUIYMCMQFPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-13-6-2-3-7(8(10)4-6)9(11)5-12/h2-4,9,12H,5,11H2,1H3.
What are the key properties of 2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol?
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol has a molecular weight of 185.20 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol is sourced from PubChem (CID 55272766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).