2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol

C9H12FNO2 — CID 13079645

IUPAC2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CN)cc1F
InChIInChI=1S/C9H12FNO2/c1-13-9-3-2-6(4-7(9)10)8(12)5-11/h2-4,8,12H,5,11H2,1H3
InChIKeyHLFRCDBVNMTVNE-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.83
Rot. Bonds3

About 2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol

2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol (PubChem CID 13079645) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
PubChem CID13079645
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CN)cc1F
InChIInChI=1S/C9H12FNO2/c1-13-9-3-2-6(4-7(9)10)8(12)5-11/h2-4,8,12H,5,11H2,1H3
InChIKeyHLFRCDBVNMTVNE-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

(1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 83000611
(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 163203583
1-(3-fluoro-4-methoxyphenyl)-3-methylidenepentan-1-ol
CID 115817551
1-(3-fluoro-4-methoxyphenyl)-2-propan-2-ylsulfanylethanol
CID 65134806
1-(3-fluoro-4-methoxyphenyl)pentane-1,5-diol
CID 112509946
(1R,3R)-3-amino-4,4,4-trifluoro-1-(3-fluoro-4-methoxyphenyl)butan-1-ol
CID 171237844
3-(3-fluoro-4-methoxyphenyl)-N,3-dihydroxypropanamide
CID 71721752
3-amino-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 82394258
1-(3-fluoro-4-methoxyphenyl)undecan-1-ol
CID 65151223
2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 112510192
2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 65130437
1-(3-fluoro-4-methoxyphenyl)-2-propoxyethanol
CID 62797147

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol?
The IUPAC name of 2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol (CID 13079645) is 2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol?
The canonical SMILES for 2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol is COc1ccc(C(O)CN)cc1F.
What is the InChIKey of 2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol?
The InChIKey is HLFRCDBVNMTVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-13-9-3-2-6(4-7(9)10)8(12)5-11/h2-4,8,12H,5,11H2,1H3.
What are the key properties of 2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol?
2-amino-1-(3-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-1-(3-fluoro-4-methoxyphenyl)ethanol is sourced from PubChem (CID 13079645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).