2-[(1R)-1-amino-2-hydroxyethyl]-4-fluoro-6-methoxyphenol

C9H12FNO3 — CID 66514040

IUPAC2-[(1R)-1-amino-2-hydroxyethyl]-4-fluoro-6-methoxyphenol
SMILESCOc1cc(F)cc([C@@H](N)CO)c1O
InChIInChI=1S/C9H12FNO3/c1-14-8-3-5(10)2-6(9(8)13)7(11)4-12/h2-3,7,12-13H,4,11H2,1H3/t7-/m0/s1
InChIKeyBERQNNDAUORYAM-ZETCQYMHSA-N
MW201.20 g/mol
LogP0.53
Rot. Bonds3

About 2-[(1R)-1-amino-2-hydroxyethyl]-4-fluoro-6-methoxyphenol

2-[(1R)-1-amino-2-hydroxyethyl]-4-fluoro-6-methoxyphenol (PubChem CID 66514040) has the molecular formula C9H12FNO3 and a molecular weight of 201.20 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2-hydroxyethyl]-4-fluoro-6-methoxyphenol.

Molecular Properties

Compound Name2-[(1R)-1-amino-2-hydroxyethyl]-4-fluoro-6-methoxyphenol
PubChem CID66514040
Molecular FormulaC9H12FNO3
Molecular Weight201.20 g/mol
Exact Mass201.08
IUPAC Name2-[(1R)-1-amino-2-hydroxyethyl]-4-fluoro-6-methoxyphenol
SMILESCOc1cc(F)cc([C@@H](N)CO)c1O
InChIInChI=1S/C9H12FNO3/c1-14-8-3-5(10)2-6(9(8)13)7(11)4-12/h2-3,7,12-13H,4,11H2,1H3/t7-/m0/s1
InChIKeyBERQNNDAUORYAM-ZETCQYMHSA-N
XLogP0.53
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1R)-1-amino-2-fluoroethyl]-4-fluoro-6-methoxyphenol
CID 131154819
2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxy-4-methylphenol
CID 55277238
2-[(1S)-1-aminobut-3-enyl]-4-fluoro-6-methoxyphenol;hydrochloride
CID 171256017
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-fluoro-6-methoxyphenol
CID 171256037
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-4-fluoro-6-methoxyphenol
CID 171256039
2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-fluoro-6-methoxyphenol
CID 171259381
(2R)-2-amino-2-(4-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171224919
2-[(1S)-1-amino-2-hydroxyethyl]-4-fluoro-6-methylphenol;hydrochloride
CID 171205435
(2S)-2-amino-2-(3,5-difluoro-2-methoxyphenyl)ethanol
CID 66514208
4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol
CID 66514027
2-amino-6-[(1R)-1-amino-2-hydroxyethyl]-4-fluorophenol;hydrochloride
CID 171253901
2-[(1R)-1-amino-2-hydroxyethyl]-6-bromo-4-fluorophenol;hydrochloride
CID 171253657

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2-hydroxyethyl]-4-fluoro-6-methoxyphenol?
The IUPAC name of 2-[(1R)-1-amino-2-hydroxyethyl]-4-fluoro-6-methoxyphenol (CID 66514040) is 2-[(1R)-1-amino-2-hydroxyethyl]-4-fluoro-6-methoxyphenol.
What is the SMILES notation for 2-[(1R)-1-amino-2-hydroxyethyl]-4-fluoro-6-methoxyphenol?
The canonical SMILES for 2-[(1R)-1-amino-2-hydroxyethyl]-4-fluoro-6-methoxyphenol is COc1cc(F)cc([C@@H](N)CO)c1O.
What is the InChIKey of 2-[(1R)-1-amino-2-hydroxyethyl]-4-fluoro-6-methoxyphenol?
The InChIKey is BERQNNDAUORYAM-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12FNO3/c1-14-8-3-5(10)2-6(9(8)13)7(11)4-12/h2-3,7,12-13H,4,11H2,1H3/t7-/m0/s1.
What are the key properties of 2-[(1R)-1-amino-2-hydroxyethyl]-4-fluoro-6-methoxyphenol?
2-[(1R)-1-amino-2-hydroxyethyl]-4-fluoro-6-methoxyphenol has a molecular weight of 201.20 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-2-hydroxyethyl]-4-fluoro-6-methoxyphenol is sourced from PubChem (CID 66514040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).