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

C18H28FN — CID 106882904

IUPACN-[[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C)CC1c1c(C)cc(C)cc1F
InChIInChI=1S/C18H28FN/c1-5-20-11-15-7-6-12(2)9-16(15)18-14(4)8-13(3)10-17(18)19/h8,10,12,15-16,20H,5-7,9,11H2,1-4H3
InChIKeyXAVVKWOIAKNPHN-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.57
Rot. Bonds4

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

N-[[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methyl]ethanamine (PubChem CID 106882904) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methyl]ethanamine
PubChem CID106882904
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC NameN-[[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C)CC1c1c(C)cc(C)cc1F
InChIInChI=1S/C18H28FN/c1-5-20-11-15-7-6-12(2)9-16(15)18-14(4)8-13(3)10-17(18)19/h8,10,12,15-16,20H,5-7,9,11H2,1-4H3
InChIKeyXAVVKWOIAKNPHN-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methanamine
CID 106882856
N-[[2-(2-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]ethanamine
CID 81031795
2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexan-1-amine
CID 106882846
N-[[2-(2-fluoro-4,6-dimethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 106882895
N-[[2-(3,5-dimethoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine
CID 81033287
N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81034007
N-[[2-(3,5-difluorophenyl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 81031514
N-[[4-methyl-2-(6-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine
CID 81031650
N-[[2-(2,6-difluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81033331
N-[[2-(5-chloro-2-methoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine
CID 81032180
2-(2-fluoro-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid
CID 106882833
N-[[2-(1-benzofuran-2-yl)-4-methylcyclohexyl]methyl]ethanamine
CID 114735847

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methyl]ethanamine (CID 106882904) is N-[[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methyl]ethanamine is CCNCC1CCC(C)CC1c1c(C)cc(C)cc1F.
What is the InChIKey of N-[[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methyl]ethanamine?
The InChIKey is XAVVKWOIAKNPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-5-20-11-15-7-6-12(2)9-16(15)18-14(4)8-13(3)10-17(18)19/h8,10,12,15-16,20H,5-7,9,11H2,1-4H3.
What are the key properties of N-[[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methyl]ethanamine?
N-[[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methyl]ethanamine has a molecular weight of 277.43 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 106882904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).