N-[(4-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine

C16H24FN — CID 55187004

IUPACN-[(4-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1)C1CCCC(C)C1
InChIInChI=1S/C16H24FN/c1-3-18-16(13-7-9-15(17)10-8-13)14-6-4-5-12(2)11-14/h7-10,12,14,16,18H,3-6,11H2,1-2H3
InChIKeyONBHVSSJAGSSKZ-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.30
Rot. Bonds4

About N-[(4-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine

N-[(4-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine (PubChem CID 55187004) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine
PubChem CID55187004
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-[(4-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1)C1CCCC(C)C1
InChIInChI=1S/C16H24FN/c1-3-18-16(13-7-9-15(17)10-8-13)14-6-4-5-12(2)11-14/h7-10,12,14,16,18H,3-6,11H2,1-2H3
InChIKeyONBHVSSJAGSSKZ-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-cyclobutylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 116506045
N-[[4-(difluoromethoxy)phenyl]-(3-methylcyclohexyl)methyl]ethanamine
CID 104992083
N-[(4-cyclopropyloxyphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 114519344
N-[(4-fluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65412981
N-ethyl-2-(4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 63415167
N-[(3,5-difluorophenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65414596
N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 82822378
N-[(3,4-difluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 63415343
N-[(4-fluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 62906192
N-[(3-methylcyclohexyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544173
1-(4-ethylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 63414820
[(3-methylcyclohexyl)-(4-propylphenyl)methyl]hydrazine
CID 105210218

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(4-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine (CID 55187004) is N-[(4-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(4-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine is CCNC(c1ccc(F)cc1)C1CCCC(C)C1.
What is the InChIKey of N-[(4-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine?
The InChIKey is ONBHVSSJAGSSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-3-18-16(13-7-9-15(17)10-8-13)14-6-4-5-12(2)11-14/h7-10,12,14,16,18H,3-6,11H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine?
N-[(4-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine has a molecular weight of 249.37 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 55187004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).