2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine

C18H27ClFN — CID 103040129

IUPAC2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine
SMILESCCNC(Cc1ccc(F)c(Cl)c1)C1CCC(CC)CC1
InChIInChI=1S/C18H27ClFN/c1-3-13-5-8-15(9-6-13)18(21-4-2)12-14-7-10-17(20)16(19)11-14/h7,10-11,13,15,18,21H,3-6,8-9,12H2,1-2H3
InChIKeyXTYLWNVTXSBRNI-UHFFFAOYSA-N
MW311.87 g/mol
LogP5.22
Rot. Bonds6

About 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine

2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine (PubChem CID 103040129) has the molecular formula C18H27ClFN and a molecular weight of 311.87 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine
PubChem CID103040129
Molecular FormulaC18H27ClFN
Molecular Weight311.87 g/mol
Exact Mass311.18
IUPAC Name2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine
SMILESCCNC(Cc1ccc(F)c(Cl)c1)C1CCC(CC)CC1
InChIInChI=1S/C18H27ClFN/c1-3-13-5-8-15(9-6-13)18(21-4-2)12-14-7-10-17(20)16(19)11-14/h7,10-11,13,15,18,21H,3-6,8-9,12H2,1-2H3
InChIKeyXTYLWNVTXSBRNI-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.87
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 103039852
2-(3-chlorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine
CID 64776038
N-[2-(3-chloro-4-fluorophenyl)-1-cyclohexylethyl]propan-1-amine
CID 103039853
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 103040140
N-[2-(4-chlorophenyl)-1-(4-ethylcyclohexyl)ethyl]propan-1-amine
CID 64775232
N-ethyl-1-(4-ethylcyclohexyl)-2-(3-methylphenyl)ethanamine
CID 64776051
1-(2-bicyclo[2.2.1]heptanyl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine
CID 103040435
N-ethyl-1-(4-ethylcyclohexyl)-2-pyridin-4-ylethanamine
CID 64774213
1-(3-chloro-4-fluorophenyl)-4-cyclopentyl-N-ethylbutan-2-amine
CID 103043472
2-(3-chloro-4-fluorophenyl)-1-(4-propylcyclohexyl)ethanol
CID 103039609
3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-N-ethylpropan-1-amine
CID 107892041
2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(3-ethylcyclopentyl)ethanamine
CID 102857659

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine (CID 103040129) is 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine is CCNC(Cc1ccc(F)c(Cl)c1)C1CCC(CC)CC1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine?
The InChIKey is XTYLWNVTXSBRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClFN/c1-3-13-5-8-15(9-6-13)18(21-4-2)12-14-7-10-17(20)16(19)11-14/h7,10-11,13,15,18,21H,3-6,8-9,12H2,1-2H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine?
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine has a molecular weight of 311.87 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine is sourced from PubChem (CID 103040129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).