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

C9H12FNO2 — CID 84769635

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

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

4-(2-amino-1-hydroxyethyl)-2-fluoro-5-methylphenol (PubChem CID 84769635) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 4-(2-amino-1-hydroxyethyl)-2-fluoro-5-methylphenol.

Molecular Properties

Compound Name4-(2-amino-1-hydroxyethyl)-2-fluoro-5-methylphenol
PubChem CID84769635
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name4-(2-amino-1-hydroxyethyl)-2-fluoro-5-methylphenol
SMILESCc1cc(O)c(F)cc1C(O)CN
InChIInChI=1S/C9H12FNO2/c1-5-2-8(12)7(10)3-6(5)9(13)4-11/h2-3,9,12-13H,4,11H2,1H3
InChIKeyUKTARDKAPXZXRG-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

2-amino-1-(5-fluoro-2,4-dimethylphenyl)ethanol
CID 84769063
5-(2-amino-1-hydroxyethyl)-2,4-difluorophenol
CID 117281266
(1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol
CID 83001188
4-(1-amino-2-hydroxyethyl)-2-fluoro-5-methylphenol
CID 84769631
4-(1-amino-4-methylpentan-3-yl)-2-fluoro-5-methylphenol
CID 84790339
3-amino-3-(5-fluoro-4-hydroxy-2-methylphenyl)propanoic acid
CID 84782589
2-amino-1-(2,3,4,5-tetrafluorophenyl)ethanol
CID 18627999
5-(2-amino-1-hydroxyethyl)-3-fluoro-2-methoxy-6-methylphenol
CID 117306460
2-amino-1-(2,5-difluoro-4-methylsulfanylphenyl)ethanol
CID 117312254
2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride
CID 137346924
2-amino-1-(2,3,4,5-tetramethylphenyl)ethanol
CID 117284183
4-[(1R)-1-aminopropyl]-2,5-difluorophenol
CID 55274209

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-hydroxyethyl)-2-fluoro-5-methylphenol?
The IUPAC name of 4-(2-amino-1-hydroxyethyl)-2-fluoro-5-methylphenol (CID 84769635) is 4-(2-amino-1-hydroxyethyl)-2-fluoro-5-methylphenol.
What is the SMILES notation for 4-(2-amino-1-hydroxyethyl)-2-fluoro-5-methylphenol?
The canonical SMILES for 4-(2-amino-1-hydroxyethyl)-2-fluoro-5-methylphenol is Cc1cc(O)c(F)cc1C(O)CN.
What is the InChIKey of 4-(2-amino-1-hydroxyethyl)-2-fluoro-5-methylphenol?
The InChIKey is UKTARDKAPXZXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-5-2-8(12)7(10)3-6(5)9(13)4-11/h2-3,9,12-13H,4,11H2,1H3.
What are the key properties of 4-(2-amino-1-hydroxyethyl)-2-fluoro-5-methylphenol?
4-(2-amino-1-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-(2-amino-1-hydroxyethyl)-2-fluoro-5-methylphenol is sourced from PubChem (CID 84769635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).