4-[(1-cyclopropylethylamino)methyl]-2-fluorophenol

C12H16FNO — CID 115677224

IUPAC4-[(1-cyclopropylethylamino)methyl]-2-fluorophenol
SMILESCC(NCc1ccc(O)c(F)c1)C1CC1
InChIInChI=1S/C12H16FNO/c1-8(10-3-4-10)14-7-9-2-5-12(15)11(13)6-9/h2,5-6,8,10,14-15H,3-4,7H2,1H3
InChIKeyVTCNYKSYNDGYTQ-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.42
Rot. Bonds4

About 4-[(1-cyclopropylethylamino)methyl]-2-fluorophenol

4-[(1-cyclopropylethylamino)methyl]-2-fluorophenol (PubChem CID 115677224) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 4-[(1-cyclopropylethylamino)methyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[(1-cyclopropylethylamino)methyl]-2-fluorophenol
PubChem CID115677224
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name4-[(1-cyclopropylethylamino)methyl]-2-fluorophenol
SMILESCC(NCc1ccc(O)c(F)c1)C1CC1
InChIInChI=1S/C12H16FNO/c1-8(10-3-4-10)14-7-9-2-5-12(15)11(13)6-9/h2,5-6,8,10,14-15H,3-4,7H2,1H3
InChIKeyVTCNYKSYNDGYTQ-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1-cyclopropylpropan-2-ylamino)methyl]-2-fluorophenol
CID 115722404
4-[(1-cyclopropylethylamino)methyl]-2-fluorobenzoic acid
CID 106699722
(1S)-1-cycloheptyl-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 81390721
4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2,6-difluorophenol
CID 81394254
(1R)-1-cycloheptyl-N-[(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 81391098
4-[[[(1R)-1-cyclohexylethyl]amino]methyl]-2-fluorobenzoic acid
CID 106700240
2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide
CID 107685981
4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxyphenol
CID 81396225
N-[(4-chlorophenyl)methyl]-1-cyclopropylethanamine
CID 43183248
(1R)-1-cyclohexyl-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81384987
N-[(4-chloro-3-fluorophenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769034
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-methoxyphenol
CID 81391316

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopropylethylamino)methyl]-2-fluorophenol?
The IUPAC name of 4-[(1-cyclopropylethylamino)methyl]-2-fluorophenol (CID 115677224) is 4-[(1-cyclopropylethylamino)methyl]-2-fluorophenol.
What is the SMILES notation for 4-[(1-cyclopropylethylamino)methyl]-2-fluorophenol?
The canonical SMILES for 4-[(1-cyclopropylethylamino)methyl]-2-fluorophenol is CC(NCc1ccc(O)c(F)c1)C1CC1.
What is the InChIKey of 4-[(1-cyclopropylethylamino)methyl]-2-fluorophenol?
The InChIKey is VTCNYKSYNDGYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8(10-3-4-10)14-7-9-2-5-12(15)11(13)6-9/h2,5-6,8,10,14-15H,3-4,7H2,1H3.
What are the key properties of 4-[(1-cyclopropylethylamino)methyl]-2-fluorophenol?
4-[(1-cyclopropylethylamino)methyl]-2-fluorophenol has a molecular weight of 209.26 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopropylethylamino)methyl]-2-fluorophenol is sourced from PubChem (CID 115677224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).