4-fluoro-2-[[2-(3-methylcyclohexyl)ethylamino]methyl]phenol

C16H24FNO — CID 107694453

IUPAC4-fluoro-2-[[2-(3-methylcyclohexyl)ethylamino]methyl]phenol
SMILESCC1CCCC(CCNCc2cc(F)ccc2O)C1
InChIInChI=1S/C16H24FNO/c1-12-3-2-4-13(9-12)7-8-18-11-14-10-15(17)5-6-16(14)19/h5-6,10,12-13,18-19H,2-4,7-9,11H2,1H3
InChIKeyWTWZRYGZYLGGOD-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.84
Rot. Bonds5

About 4-fluoro-2-[[2-(3-methylcyclohexyl)ethylamino]methyl]phenol

4-fluoro-2-[[2-(3-methylcyclohexyl)ethylamino]methyl]phenol (PubChem CID 107694453) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 4-fluoro-2-[[2-(3-methylcyclohexyl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[[2-(3-methylcyclohexyl)ethylamino]methyl]phenol
PubChem CID107694453
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name4-fluoro-2-[[2-(3-methylcyclohexyl)ethylamino]methyl]phenol
SMILESCC1CCCC(CCNCc2cc(F)ccc2O)C1
InChIInChI=1S/C16H24FNO/c1-12-3-2-4-13(9-12)7-8-18-11-14-10-15(17)5-6-16(14)19/h5-6,10,12-13,18-19H,2-4,7-9,11H2,1H3
InChIKeyWTWZRYGZYLGGOD-UHFFFAOYSA-N
XLogP3.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol
CID 103948129
4-fluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
CID 103948092
2-[(2-cyclopentylethylamino)methyl]-4-methylphenol
CID 63324647
2-[[3-(cyclopropylmethoxy)propylamino]methyl]-4-fluorophenol
CID 103948001
N-[(2-chloro-4-methylphenyl)methyl]-2-(3-methylcyclohexyl)ethanamine
CID 106862699
4-fluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]phenol
CID 103948125
2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-4-fluorophenol
CID 107694443
4-fluoro-2-[[(2-methylcyclopentyl)amino]methyl]phenol
CID 103948660
2-[(2-cyclopropylethylamino)methyl]-4,5-dimethylphenol
CID 115656460
2-[[(3,5-dimethylcyclohexyl)amino]methyl]-4-fluorophenol
CID 103948788
4-fluoro-2-[(oxan-4-ylmethylamino)methyl]phenol
CID 103948383
2-fluoro-5-[[2-(3-methylcyclohexyl)ethylamino]methyl]benzonitrile
CID 107880249

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[2-(3-methylcyclohexyl)ethylamino]methyl]phenol?
The IUPAC name of 4-fluoro-2-[[2-(3-methylcyclohexyl)ethylamino]methyl]phenol (CID 107694453) is 4-fluoro-2-[[2-(3-methylcyclohexyl)ethylamino]methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[[2-(3-methylcyclohexyl)ethylamino]methyl]phenol?
The canonical SMILES for 4-fluoro-2-[[2-(3-methylcyclohexyl)ethylamino]methyl]phenol is CC1CCCC(CCNCc2cc(F)ccc2O)C1.
What is the InChIKey of 4-fluoro-2-[[2-(3-methylcyclohexyl)ethylamino]methyl]phenol?
The InChIKey is WTWZRYGZYLGGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-12-3-2-4-13(9-12)7-8-18-11-14-10-15(17)5-6-16(14)19/h5-6,10,12-13,18-19H,2-4,7-9,11H2,1H3.
What are the key properties of 4-fluoro-2-[[2-(3-methylcyclohexyl)ethylamino]methyl]phenol?
4-fluoro-2-[[2-(3-methylcyclohexyl)ethylamino]methyl]phenol has a molecular weight of 265.37 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[2-(3-methylcyclohexyl)ethylamino]methyl]phenol is sourced from PubChem (CID 107694453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).