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

C11H16FNO — CID 55274846

IUPAC6-[(1R)-1-aminobutyl]-3-fluoro-2-methylphenol
SMILESCCC[C@@H](N)c1ccc(F)c(C)c1O
InChIInChI=1S/C11H16FNO/c1-3-4-10(13)8-5-6-9(12)7(2)11(8)14/h5-6,10,14H,3-4,13H2,1-2H3/t10-/m1/s1
InChIKeyRDPGARKMERULPJ-SNVBAGLBSA-N
MW197.25 g/mol
LogP2.64
Rot. Bonds3

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

6-[(1R)-1-aminobutyl]-3-fluoro-2-methylphenol (PubChem CID 55274846) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 6-[(1R)-1-aminobutyl]-3-fluoro-2-methylphenol.

Molecular Properties

Compound Name6-[(1R)-1-aminobutyl]-3-fluoro-2-methylphenol
PubChem CID55274846
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name6-[(1R)-1-aminobutyl]-3-fluoro-2-methylphenol
SMILESCCC[C@@H](N)c1ccc(F)c(C)c1O
InChIInChI=1S/C11H16FNO/c1-3-4-10(13)8-5-6-9(12)7(2)11(8)14/h5-6,10,14H,3-4,13H2,1-2H3/t10-/m1/s1
InChIKeyRDPGARKMERULPJ-SNVBAGLBSA-N
XLogP2.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.64
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-[(1R)-1-aminoethyl]-3-fluoro-2-methylphenol
CID 55274097
2-[(1S)-1-aminobutyl]-6-fluoro-3-methylphenol;hydrochloride
CID 171253553
2-[(1R)-1-aminobutyl]-3-bromo-6-fluorophenol
CID 130647359
2-(1-aminobutyl)-5-chlorophenol
CID 55271599
2-[(1S)-1-aminobutyl]-4,5-difluorophenol
CID 130865865
2-[(1S)-1-aminopentyl]-6-fluorophenol
CID 171218437
2-[(1R)-1-aminobutyl]-4-fluoro-6-methylphenol;hydrochloride
CID 171205406
4-[(1R)-1-aminopropyl]-2-methylbenzene-1,3-diol
CID 131118575
6-[(1R)-1-aminobutyl]-3-methyl-2-nitrophenol
CID 171258607
(1S)-1-(4-fluoro-2-methylphenyl)butan-1-amine;hydrochloride
CID 171221352
2-[(1S)-1-aminobutyl]-5-methylphenol;hydrochloride
CID 171232006

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-aminobutyl]-3-fluoro-2-methylphenol?
The IUPAC name of 6-[(1R)-1-aminobutyl]-3-fluoro-2-methylphenol (CID 55274846) is 6-[(1R)-1-aminobutyl]-3-fluoro-2-methylphenol.
What is the SMILES notation for 6-[(1R)-1-aminobutyl]-3-fluoro-2-methylphenol?
The canonical SMILES for 6-[(1R)-1-aminobutyl]-3-fluoro-2-methylphenol is CCC[C@@H](N)c1ccc(F)c(C)c1O.
What is the InChIKey of 6-[(1R)-1-aminobutyl]-3-fluoro-2-methylphenol?
The InChIKey is RDPGARKMERULPJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16FNO/c1-3-4-10(13)8-5-6-9(12)7(2)11(8)14/h5-6,10,14H,3-4,13H2,1-2H3/t10-/m1/s1.
What are the key properties of 6-[(1R)-1-aminobutyl]-3-fluoro-2-methylphenol?
6-[(1R)-1-aminobutyl]-3-fluoro-2-methylphenol has a molecular weight of 197.25 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-aminobutyl]-3-fluoro-2-methylphenol is sourced from PubChem (CID 55274846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).