4-(1-amino-2-hydroxyethyl)-2-fluoro-5-methylphenol

C9H12FNO2 — CID 84769631

IUPAC4-(1-amino-2-hydroxyethyl)-2-fluoro-5-methylphenol
SMILESCc1cc(O)c(F)cc1C(N)CO
InChIInChI=1S/C9H12FNO2/c1-5-2-9(13)7(10)3-6(5)8(11)4-12/h2-3,8,12-13H,4,11H2,1H3
InChIKeyIEABMLSKVHDZKQ-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.83
Rot. Bonds2

About 4-(1-amino-2-hydroxyethyl)-2-fluoro-5-methylphenol

4-(1-amino-2-hydroxyethyl)-2-fluoro-5-methylphenol (PubChem CID 84769631) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 4-(1-amino-2-hydroxyethyl)-2-fluoro-5-methylphenol.

Molecular Properties

Compound Name4-(1-amino-2-hydroxyethyl)-2-fluoro-5-methylphenol
PubChem CID84769631
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name4-(1-amino-2-hydroxyethyl)-2-fluoro-5-methylphenol
SMILESCc1cc(O)c(F)cc1C(N)CO
InChIInChI=1S/C9H12FNO2/c1-5-2-9(13)7(10)3-6(5)8(11)4-12/h2-3,8,12-13H,4,11H2,1H3
InChIKeyIEABMLSKVHDZKQ-UHFFFAOYSA-N
XLogP0.83
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(5-fluoro-4-hydroxy-2-methylphenyl)propanoic acid
CID 84782589
2-amino-2-(2-fluoro-4,5-dimethylphenyl)ethanol
CID 84769051
2-amino-2-(2,4,5-trimethylphenyl)ethanol
CID 17389879
4-(2-amino-1-hydroxyethyl)-2-fluoro-5-methylphenol
CID 84769635
4-[(1R)-1-aminopropyl]-2,5-difluorophenol
CID 55274209
(2R)-2-amino-2-(4-amino-2-fluoro-5-methylphenyl)ethanol
CID 66513540
2-amino-2-(3,5-difluoro-2,4-dimethylphenyl)ethanol
CID 84776170
2-[(1S)-1-amino-2-hydroxyethyl]-4-bromo-5-methylphenol
CID 66515434
4-(1-amino-4-methylpentan-3-yl)-2-fluoro-5-methylphenol
CID 84790339
4-[(1R)-1-amino-2-hydroxyethyl]-3-methylphenol
CID 66513632
2-[(1S)-1-amino-2-hydroxyethyl]-4-fluoro-6-methylphenol;hydrochloride
CID 171205435
(2S)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171201973

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-hydroxyethyl)-2-fluoro-5-methylphenol?
The IUPAC name of 4-(1-amino-2-hydroxyethyl)-2-fluoro-5-methylphenol (CID 84769631) is 4-(1-amino-2-hydroxyethyl)-2-fluoro-5-methylphenol.
What is the SMILES notation for 4-(1-amino-2-hydroxyethyl)-2-fluoro-5-methylphenol?
The canonical SMILES for 4-(1-amino-2-hydroxyethyl)-2-fluoro-5-methylphenol is Cc1cc(O)c(F)cc1C(N)CO.
What is the InChIKey of 4-(1-amino-2-hydroxyethyl)-2-fluoro-5-methylphenol?
The InChIKey is IEABMLSKVHDZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-5-2-9(13)7(10)3-6(5)8(11)4-12/h2-3,8,12-13H,4,11H2,1H3.
What are the key properties of 4-(1-amino-2-hydroxyethyl)-2-fluoro-5-methylphenol?
4-(1-amino-2-hydroxyethyl)-2-fluoro-5-methylphenol has a molecular weight of 185.20 g/mol, XLogP of 0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-hydroxyethyl)-2-fluoro-5-methylphenol is sourced from PubChem (CID 84769631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).