1-(2-amino-5-fluorophenyl)-2-methoxyethanol

C9H12FNO2 — CID 82685227

IUPAC1-(2-amino-5-fluorophenyl)-2-methoxyethanol
SMILESCOCC(O)c1cc(F)ccc1N
InChIInChI=1S/C9H12FNO2/c1-13-5-9(12)7-4-6(10)2-3-8(7)11/h2-4,9,12H,5,11H2,1H3
InChIKeyLFVPWEXJGYSXER-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.09
Rot. Bonds3

About 1-(2-amino-5-fluorophenyl)-2-methoxyethanol

1-(2-amino-5-fluorophenyl)-2-methoxyethanol (PubChem CID 82685227) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 1-(2-amino-5-fluorophenyl)-2-methoxyethanol.

Molecular Properties

Compound Name1-(2-amino-5-fluorophenyl)-2-methoxyethanol
PubChem CID82685227
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name1-(2-amino-5-fluorophenyl)-2-methoxyethanol
SMILESCOCC(O)c1cc(F)ccc1N
InChIInChI=1S/C9H12FNO2/c1-13-5-9(12)7-4-6(10)2-3-8(7)11/h2-4,9,12H,5,11H2,1H3
InChIKeyLFVPWEXJGYSXER-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-5-fluorophenyl)-3-methylbutan-1-ol
CID 82685546
1-(2-amino-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 82920437
1-(2-amino-5-fluorophenyl)-2-(3-methylphenyl)ethanol
CID 82684970
1-(2-amino-5-fluorophenyl)-2-(2-bromo-4-fluorophenyl)ethanol
CID 82684547
1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 82683165
1-(2-chloro-5-fluorophenyl)-3-methoxypropan-1-ol
CID 105394437
(S)-(2-amino-5-fluorophenyl)-(3-methoxy-2-methylphenyl)methanol
CID 129394511
1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanol
CID 82685101
1-(5-fluoro-2-methoxyphenyl)-4-methoxy-3-methylbutan-1-ol
CID 105122379
3-(2-amino-5-fluorophenyl)-2,3-dihydroxypropanamide
CID 171867868
1-(5-fluoro-2-methylphenyl)-4-methoxybutan-1-ol
CID 62606584
1-(2-amino-5-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 82685780

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluorophenyl)-2-methoxyethanol?
The IUPAC name of 1-(2-amino-5-fluorophenyl)-2-methoxyethanol (CID 82685227) is 1-(2-amino-5-fluorophenyl)-2-methoxyethanol.
What is the SMILES notation for 1-(2-amino-5-fluorophenyl)-2-methoxyethanol?
The canonical SMILES for 1-(2-amino-5-fluorophenyl)-2-methoxyethanol is COCC(O)c1cc(F)ccc1N.
What is the InChIKey of 1-(2-amino-5-fluorophenyl)-2-methoxyethanol?
The InChIKey is LFVPWEXJGYSXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-13-5-9(12)7-4-6(10)2-3-8(7)11/h2-4,9,12H,5,11H2,1H3.
What are the key properties of 1-(2-amino-5-fluorophenyl)-2-methoxyethanol?
1-(2-amino-5-fluorophenyl)-2-methoxyethanol has a molecular weight of 185.20 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluorophenyl)-2-methoxyethanol is sourced from PubChem (CID 82685227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).