6-[(1R)-1-aminoethyl]-3-fluoro-2-methylphenol

C9H12FNO — CID 55274097

IUPAC6-[(1R)-1-aminoethyl]-3-fluoro-2-methylphenol
SMILESCc1c(F)ccc([C@@H](C)N)c1O
InChIInChI=1S/C9H12FNO/c1-5-8(10)4-3-7(6(2)11)9(5)12/h3-4,6,12H,11H2,1-2H3/t6-/m1/s1
InChIKeyLYVWAWWXHNJTGW-ZCFIWIBFSA-N
MW169.20 g/mol
LogP1.86
Rot. Bonds1

About 6-[(1R)-1-aminoethyl]-3-fluoro-2-methylphenol

6-[(1R)-1-aminoethyl]-3-fluoro-2-methylphenol (PubChem CID 55274097) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 6-[(1R)-1-aminoethyl]-3-fluoro-2-methylphenol.

Molecular Properties

Compound Name6-[(1R)-1-aminoethyl]-3-fluoro-2-methylphenol
PubChem CID55274097
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name6-[(1R)-1-aminoethyl]-3-fluoro-2-methylphenol
SMILESCc1c(F)ccc([C@@H](C)N)c1O
InChIInChI=1S/C9H12FNO/c1-5-8(10)4-3-7(6(2)11)9(5)12/h3-4,6,12H,11H2,1-2H3/t6-/m1/s1
InChIKeyLYVWAWWXHNJTGW-ZCFIWIBFSA-N
XLogP1.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(1-amino-2-fluoroethyl)-3-fluoro-2-methylphenol
CID 130059268
6-[(1S)-1-aminoethyl]-2,3-difluorophenol;hydrochloride
CID 171253098
6-[(1S)-1-aminoethyl]-2-bromo-3-fluorophenol
CID 130614162
6-[(1R)-1-aminobutyl]-3-fluoro-2-methylphenol
CID 55274846
3-(1-aminoethyl)-6-methylbenzene-1,2-diol
CID 84652680
3,6-difluoro-2-methylphenol
CID 66721696
4-(1-aminoethyl)-2,3-dimethylphenol
CID 82266494
(1R)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072341
(1S)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072344
1-(2,4-difluoro-3-methylphenyl)ethanol
CID 84654323
2-[(1S)-1-aminoethyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171253947
6-[(1S,2R)-1-amino-2-hydroxypropyl]-2,3-difluorophenol
CID 130747229

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-aminoethyl]-3-fluoro-2-methylphenol?
The IUPAC name of 6-[(1R)-1-aminoethyl]-3-fluoro-2-methylphenol (CID 55274097) is 6-[(1R)-1-aminoethyl]-3-fluoro-2-methylphenol.
What is the SMILES notation for 6-[(1R)-1-aminoethyl]-3-fluoro-2-methylphenol?
The canonical SMILES for 6-[(1R)-1-aminoethyl]-3-fluoro-2-methylphenol is Cc1c(F)ccc([C@@H](C)N)c1O.
What is the InChIKey of 6-[(1R)-1-aminoethyl]-3-fluoro-2-methylphenol?
The InChIKey is LYVWAWWXHNJTGW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12FNO/c1-5-8(10)4-3-7(6(2)11)9(5)12/h3-4,6,12H,11H2,1-2H3/t6-/m1/s1.
What are the key properties of 6-[(1R)-1-aminoethyl]-3-fluoro-2-methylphenol?
6-[(1R)-1-aminoethyl]-3-fluoro-2-methylphenol has a molecular weight of 169.20 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-aminoethyl]-3-fluoro-2-methylphenol is sourced from PubChem (CID 55274097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).