3-fluoro-4-[1-[(4-methylcyclohexyl)methylamino]ethyl]phenol

C16H24FNO — CID 107715127

IUPAC3-fluoro-4-[1-[(4-methylcyclohexyl)methylamino]ethyl]phenol
SMILESCC1CCC(CNC(C)c2ccc(O)cc2F)CC1
InChIInChI=1S/C16H24FNO/c1-11-3-5-13(6-4-11)10-18-12(2)15-8-7-14(19)9-16(15)17/h7-9,11-13,18-19H,3-6,10H2,1-2H3
InChIKeyTXCLCJHVMWMODL-UHFFFAOYSA-N
MW265.37 g/mol
LogP4.01
Rot. Bonds4

About 3-fluoro-4-[1-[(4-methylcyclohexyl)methylamino]ethyl]phenol

3-fluoro-4-[1-[(4-methylcyclohexyl)methylamino]ethyl]phenol (PubChem CID 107715127) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 3-fluoro-4-[1-[(4-methylcyclohexyl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[1-[(4-methylcyclohexyl)methylamino]ethyl]phenol
PubChem CID107715127
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name3-fluoro-4-[1-[(4-methylcyclohexyl)methylamino]ethyl]phenol
SMILESCC1CCC(CNC(C)c2ccc(O)cc2F)CC1
InChIInChI=1S/C16H24FNO/c1-11-3-5-13(6-4-11)10-18-12(2)15-8-7-14(19)9-16(15)17/h7-9,11-13,18-19H,3-6,10H2,1-2H3
InChIKeyTXCLCJHVMWMODL-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 82963551
4-[1-(2-cyclopropylethylamino)ethyl]-3-fluorophenol
CID 107715210
1-(2-fluorophenyl)-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107411471
1-(3,4-difluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 55192396
2-[1-[(4-ethylcyclohexyl)methylamino]ethyl]benzene-1,4-diol
CID 60971982
3-fluoro-4-[1-[(3-methylcyclobutyl)amino]ethyl]phenol
CID 107715430
4-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]ethyl]-3-fluorophenol
CID 107715527
(1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81369388
3-fluoro-4-[1-[(3-methylcyclohexyl)amino]ethyl]phenol
CID 107714719
(1R)-1-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81378377
2-[1-(cyclohexylmethylamino)ethyl]-5-fluorophenol
CID 63065844
4-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]-3-fluorophenol
CID 107715312

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-[(4-methylcyclohexyl)methylamino]ethyl]phenol?
The IUPAC name of 3-fluoro-4-[1-[(4-methylcyclohexyl)methylamino]ethyl]phenol (CID 107715127) is 3-fluoro-4-[1-[(4-methylcyclohexyl)methylamino]ethyl]phenol.
What is the SMILES notation for 3-fluoro-4-[1-[(4-methylcyclohexyl)methylamino]ethyl]phenol?
The canonical SMILES for 3-fluoro-4-[1-[(4-methylcyclohexyl)methylamino]ethyl]phenol is CC1CCC(CNC(C)c2ccc(O)cc2F)CC1.
What is the InChIKey of 3-fluoro-4-[1-[(4-methylcyclohexyl)methylamino]ethyl]phenol?
The InChIKey is TXCLCJHVMWMODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-11-3-5-13(6-4-11)10-18-12(2)15-8-7-14(19)9-16(15)17/h7-9,11-13,18-19H,3-6,10H2,1-2H3.
What are the key properties of 3-fluoro-4-[1-[(4-methylcyclohexyl)methylamino]ethyl]phenol?
3-fluoro-4-[1-[(4-methylcyclohexyl)methylamino]ethyl]phenol has a molecular weight of 265.37 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[1-[(4-methylcyclohexyl)methylamino]ethyl]phenol is sourced from PubChem (CID 107715127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).