2-cyclohexyl-N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)ethanamine

C18H28FN — CID 106878239

IUPAC2-cyclohexyl-N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)ethanamine
SMILESCCNC(CC1CCCCC1)c1c(C)cc(F)cc1C
InChIInChI=1S/C18H28FN/c1-4-20-17(12-15-8-6-5-7-9-15)18-13(2)10-16(19)11-14(18)3/h10-11,15,17,20H,4-9,12H2,1-3H3
InChIKeyWFQIJWNLZIYNRX-UHFFFAOYSA-N
MW277.43 g/mol
LogP5.06
Rot. Bonds5

About 2-cyclohexyl-N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)ethanamine

2-cyclohexyl-N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)ethanamine (PubChem CID 106878239) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is 2-cyclohexyl-N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)ethanamine
PubChem CID106878239
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC Name2-cyclohexyl-N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)ethanamine
SMILESCCNC(CC1CCCCC1)c1c(C)cc(F)cc1C
InChIInChI=1S/C18H28FN/c1-4-20-17(12-15-8-6-5-7-9-15)18-13(2)10-16(19)11-14(18)3/h10-11,15,17,20H,4-9,12H2,1-3H3
InChIKeyWFQIJWNLZIYNRX-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

2-cyclohexyl-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 115841954
2-cyclohexyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 115842003
2-cyclopentyl-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine
CID 103302742
2-cycloheptyl-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 114457580
1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 81045290
2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-N-ethylethanamine
CID 82823061
2-cyclohexyl-N-ethyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755115
1-(4-bromo-2,5-difluorophenyl)-2-cycloheptyl-N-ethylethanamine
CID 114457690
1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
CID 63418000
2-cyclopentyl-N-ethyl-1-(2-methylnaphthalen-1-yl)ethanamine
CID 81429431
1-(2-bromo-4-fluorophenyl)-2-cyclopentyl-N-ethylethanamine
CID 115847237
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)pentan-1-amine
CID 106878041

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)ethanamine?
The IUPAC name of 2-cyclohexyl-N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)ethanamine (CID 106878239) is 2-cyclohexyl-N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)ethanamine?
The canonical SMILES for 2-cyclohexyl-N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)ethanamine is CCNC(CC1CCCCC1)c1c(C)cc(F)cc1C.
What is the InChIKey of 2-cyclohexyl-N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)ethanamine?
The InChIKey is WFQIJWNLZIYNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-4-20-17(12-15-8-6-5-7-9-15)18-13(2)10-16(19)11-14(18)3/h10-11,15,17,20H,4-9,12H2,1-3H3.
What are the key properties of 2-cyclohexyl-N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)ethanamine?
2-cyclohexyl-N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)ethanamine has a molecular weight of 277.43 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)ethanamine is sourced from PubChem (CID 106878239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).