2-(3-chlorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine

C18H28ClN — CID 64776038

IUPAC2-(3-chlorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine
SMILESCCNC(Cc1cccc(Cl)c1)C1CCC(CC)CC1
InChIInChI=1S/C18H28ClN/c1-3-14-8-10-16(11-9-14)18(20-4-2)13-15-6-5-7-17(19)12-15/h5-7,12,14,16,18,20H,3-4,8-11,13H2,1-2H3
InChIKeyWVSUMRQVBJOQOT-UHFFFAOYSA-N
MW293.88 g/mol
LogP5.08
Rot. Bonds6

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

2-(3-chlorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine (PubChem CID 64776038) has the molecular formula C18H28ClN and a molecular weight of 293.88 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine
PubChem CID64776038
Molecular FormulaC18H28ClN
Molecular Weight293.88 g/mol
Exact Mass293.19
IUPAC Name2-(3-chlorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine
SMILESCCNC(Cc1cccc(Cl)c1)C1CCC(CC)CC1
InChIInChI=1S/C18H28ClN/c1-3-14-8-10-16(11-9-14)18(20-4-2)13-15-6-5-7-17(19)12-15/h5-7,12,14,16,18,20H,3-4,8-11,13H2,1-2H3
InChIKeyWVSUMRQVBJOQOT-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.88
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-1-(4-ethylcyclohexyl)-2-(3-methylphenyl)ethanamine
CID 64776051
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine
CID 103040129
2-(3-chlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 62503594
N-[2-(3-chlorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 63416041
N-ethyl-1-(3-ethylcyclopentyl)-2-(3-methylphenyl)ethanamine
CID 65409853
N-ethyl-1-(4-ethylcyclohexyl)-2-pyridin-3-ylethanamine
CID 64776867
N-ethyl-1-(3-ethylcyclopentyl)-2-phenylethanamine
CID 65412003
N-ethyl-1-(4-ethylcyclohexyl)-2-pyridin-4-ylethanamine
CID 64774213
2-(3-chlorophenyl)-1-(3-ethylcyclopentyl)ethanamine
CID 65411591
2-(3-chlorophenyl)-1-cycloheptyl-N-methylethanamine
CID 63528651
2-(3-chlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 79759298
N-[2-(4-chlorophenyl)-1-(4-ethylcyclohexyl)ethyl]propan-1-amine
CID 64775232

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine (CID 64776038) is 2-(3-chlorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine is CCNC(Cc1cccc(Cl)c1)C1CCC(CC)CC1.
What is the InChIKey of 2-(3-chlorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine?
The InChIKey is WVSUMRQVBJOQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN/c1-3-14-8-10-16(11-9-14)18(20-4-2)13-15-6-5-7-17(19)12-15/h5-7,12,14,16,18,20H,3-4,8-11,13H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine?
2-(3-chlorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine has a molecular weight of 293.88 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine is sourced from PubChem (CID 64776038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).