4-fluoro-2-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol

C16H24FNO — CID 107694535

IUPAC4-fluoro-2-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol
SMILESCC(C)C1CCCCC1NCc1cc(F)ccc1O
InChIInChI=1S/C16H24FNO/c1-11(2)14-5-3-4-6-15(14)18-10-12-9-13(17)7-8-16(12)19/h7-9,11,14-15,18-19H,3-6,10H2,1-2H3
InChIKeyCXIBYDJESZFVBI-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.84
Rot. Bonds4

About 4-fluoro-2-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol

4-fluoro-2-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol (PubChem CID 107694535) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 4-fluoro-2-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol
PubChem CID107694535
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name4-fluoro-2-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol
SMILESCC(C)C1CCCCC1NCc1cc(F)ccc1O
InChIInChI=1S/C16H24FNO/c1-11(2)14-5-3-4-6-15(14)18-10-12-9-13(17)7-8-16(12)19/h7-9,11,14-15,18-19H,3-6,10H2,1-2H3
InChIKeyCXIBYDJESZFVBI-UHFFFAOYSA-N
XLogP3.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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'}

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Related Compounds

2-[[(2-ethylcyclohexyl)amino]methyl]-4-fluorophenol
CID 103948073
4-fluoro-2-[[(2-methylcyclopentyl)amino]methyl]phenol
CID 103948660
2-[(cyclooctylamino)methyl]-4-fluorophenol
CID 103947924
2-fluoro-6-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol
CID 112607156
2-[(5-fluoro-2-hydroxyphenyl)methylamino]cyclopentane-1-carbonitrile
CID 113429755
N-[(3,5-difluorophenyl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 105403288
4-methoxy-2-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol
CID 43710025
1-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 103948101
4-fluoro-2-[(piperidin-4-ylamino)methyl]phenol
CID 118140415
2-[[(3,5-dimethylcyclohexyl)amino]methyl]-4-fluorophenol
CID 103948788
N-[(2,5-difluorophenyl)methyl]-2-ethylcyclohexan-1-amine
CID 43709240
2-[[(3-ethylsulfanylcyclopentyl)amino]methyl]-4-fluorophenol
CID 103948905

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol?
The IUPAC name of 4-fluoro-2-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol (CID 107694535) is 4-fluoro-2-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol?
The canonical SMILES for 4-fluoro-2-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol is CC(C)C1CCCCC1NCc1cc(F)ccc1O.
What is the InChIKey of 4-fluoro-2-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol?
The InChIKey is CXIBYDJESZFVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-11(2)14-5-3-4-6-15(14)18-10-12-9-13(17)7-8-16(12)19/h7-9,11,14-15,18-19H,3-6,10H2,1-2H3.
What are the key properties of 4-fluoro-2-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol?
4-fluoro-2-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol has a molecular weight of 265.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol is sourced from PubChem (CID 107694535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).