N-[(4-fluorophenyl)-(1-methylcyclohexyl)methyl]ethanamine

C16H24FN — CID 106826887

IUPACN-[(4-fluorophenyl)-(1-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1)C1(C)CCCCC1
InChIInChI=1S/C16H24FN/c1-3-18-15(13-7-9-14(17)10-8-13)16(2)11-5-4-6-12-16/h7-10,15,18H,3-6,11-12H2,1-2H3
InChIKeyIJHBTWJFDDKRON-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.45
Rot. Bonds4

About N-[(4-fluorophenyl)-(1-methylcyclohexyl)methyl]ethanamine

N-[(4-fluorophenyl)-(1-methylcyclohexyl)methyl]ethanamine (PubChem CID 106826887) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(1-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(1-methylcyclohexyl)methyl]ethanamine
PubChem CID106826887
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-[(4-fluorophenyl)-(1-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1)C1(C)CCCCC1
InChIInChI=1S/C16H24FN/c1-3-18-15(13-7-9-14(17)10-8-13)16(2)11-5-4-6-12-16/h7-10,15,18H,3-6,11-12H2,1-2H3
InChIKeyIJHBTWJFDDKRON-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-cyclobutylphenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830625
N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]ethanamine
CID 116762251
N-[(4-fluoro-2,6-dimethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106878275
5-[ethylamino-(1-methylcyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 106826902
N-[(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 105038430
N-[(1-methylcyclopentyl)-quinolin-7-ylmethyl]ethanamine
CID 105021674
N-[(1-methylcyclopentyl)-quinolin-6-ylmethyl]ethanamine
CID 105021107
N-[(3-bromo-4-fluorophenyl)-(1-methylcyclohexyl)methyl]propan-1-amine
CID 106827096
1-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065926
N-[(2-chloro-4,5-difluorophenyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 107476482
N-[(3,4-dimethylphenyl)-(1-methylcyclohexyl)methyl]propan-1-amine
CID 106826930
N-[(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830099

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(1-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(4-fluorophenyl)-(1-methylcyclohexyl)methyl]ethanamine (CID 106826887) is N-[(4-fluorophenyl)-(1-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)-(1-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(4-fluorophenyl)-(1-methylcyclohexyl)methyl]ethanamine is CCNC(c1ccc(F)cc1)C1(C)CCCCC1.
What is the InChIKey of N-[(4-fluorophenyl)-(1-methylcyclohexyl)methyl]ethanamine?
The InChIKey is IJHBTWJFDDKRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-3-18-15(13-7-9-14(17)10-8-13)16(2)11-5-4-6-12-16/h7-10,15,18H,3-6,11-12H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)-(1-methylcyclohexyl)methyl]ethanamine?
N-[(4-fluorophenyl)-(1-methylcyclohexyl)methyl]ethanamine has a molecular weight of 249.37 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(1-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 106826887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).