N-[(4-fluoro-2,6-dimethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine

C18H28FN — CID 106878275

IUPACN-[(4-fluoro-2,6-dimethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1c(C)cc(F)cc1C)C1(C)CCCCC1
InChIInChI=1S/C18H28FN/c1-5-20-17(18(4)9-7-6-8-10-18)16-13(2)11-15(19)12-14(16)3/h11-12,17,20H,5-10H2,1-4H3
InChIKeyCFXYIBZLYLYDLW-UHFFFAOYSA-N
MW277.43 g/mol
LogP5.06
Rot. Bonds4

About N-[(4-fluoro-2,6-dimethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine

N-[(4-fluoro-2,6-dimethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine (PubChem CID 106878275) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[(4-fluoro-2,6-dimethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-fluoro-2,6-dimethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine
PubChem CID106878275
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC NameN-[(4-fluoro-2,6-dimethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1c(C)cc(F)cc1C)C1(C)CCCCC1
InChIInChI=1S/C18H28FN/c1-5-20-17(18(4)9-7-6-8-10-18)16-13(2)11-15(19)12-14(16)3/h11-12,17,20H,5-10H2,1-4H3
InChIKeyCFXYIBZLYLYDLW-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.43
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-methoxy-4,6-dimethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830788
N-[(4-fluorophenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106826887
N-[(2-chloro-4,5-difluorophenyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 107476482
N-[(2-methoxy-4,6-dimethylphenyl)-(1-methylcyclopropyl)methyl]ethanamine
CID 106680802
2-cyclohexyl-N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)ethanamine
CID 106878239
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopentyl)ethanamine
CID 105377271
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 106878353
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 115852569
N-[(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 105038430
N-[cycloocten-1-yl-(1-methylcyclopentyl)methyl]ethanamine
CID 106656551
N-[(2,5-diethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106827045
N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 103394756

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2,6-dimethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(4-fluoro-2,6-dimethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine (CID 106878275) is N-[(4-fluoro-2,6-dimethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-fluoro-2,6-dimethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(4-fluoro-2,6-dimethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine is CCNC(c1c(C)cc(F)cc1C)C1(C)CCCCC1.
What is the InChIKey of N-[(4-fluoro-2,6-dimethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine?
The InChIKey is CFXYIBZLYLYDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-5-20-17(18(4)9-7-6-8-10-18)16-13(2)11-15(19)12-14(16)3/h11-12,17,20H,5-10H2,1-4H3.
What are the key properties of N-[(4-fluoro-2,6-dimethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine?
N-[(4-fluoro-2,6-dimethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine has a molecular weight of 277.43 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2,6-dimethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 106878275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).