2-(2,3-dichlorophenyl)-N-ethyl-1-(3-ethylcyclohexyl)ethanamine

C18H27Cl2N — CID 107308723

IUPAC2-(2,3-dichlorophenyl)-N-ethyl-1-(3-ethylcyclohexyl)ethanamine
SMILESCCNC(Cc1cccc(Cl)c1Cl)C1CCCC(CC)C1
InChIInChI=1S/C18H27Cl2N/c1-3-13-7-5-8-14(11-13)17(21-4-2)12-15-9-6-10-16(19)18(15)20/h6,9-10,13-14,17,21H,3-5,7-8,11-12H2,1-2H3
InChIKeyNVGJJUCIBNBWTI-UHFFFAOYSA-N
MW328.33 g/mol
LogP5.73
Rot. Bonds6

About 2-(2,3-dichlorophenyl)-N-ethyl-1-(3-ethylcyclohexyl)ethanamine

2-(2,3-dichlorophenyl)-N-ethyl-1-(3-ethylcyclohexyl)ethanamine (PubChem CID 107308723) has the molecular formula C18H27Cl2N and a molecular weight of 328.33 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-N-ethyl-1-(3-ethylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-N-ethyl-1-(3-ethylcyclohexyl)ethanamine
PubChem CID107308723
Molecular FormulaC18H27Cl2N
Molecular Weight328.33 g/mol
Exact Mass327.15
IUPAC Name2-(2,3-dichlorophenyl)-N-ethyl-1-(3-ethylcyclohexyl)ethanamine
SMILESCCNC(Cc1cccc(Cl)c1Cl)C1CCCC(CC)C1
InChIInChI=1S/C18H27Cl2N/c1-3-13-7-5-8-14(11-13)17(21-4-2)12-15-9-6-10-16(19)18(15)20/h6,9-10,13-14,17,21H,3-5,7-8,11-12H2,1-2H3
InChIKeyNVGJJUCIBNBWTI-UHFFFAOYSA-N
XLogP5.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.33
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(3-ethylcyclopentyl)ethanamine
CID 102857659
1-cyclobutyl-3-(2,3-dichlorophenyl)-N-ethylpropan-2-amine
CID 107311774
N-[(2,6-dichlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 104992303
2-(2,3-dichlorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 107308697
N-ethyl-1-(3-ethylcyclohexyl)-2-(4-ethylphenyl)ethanamine
CID 65414953
N-ethyl-1-(3-ethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 65415760
N-ethyl-1-(3-ethylcyclohexyl)-2-(furan-2-yl)ethanamine
CID 83176158
N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348004
2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine
CID 115983923
1-(2-bicyclo[2.2.1]heptanyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
CID 107309017
3-[2-(ethylamino)-2-(3-ethylcyclohexyl)ethyl]pyridin-4-amine
CID 65413742
1-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 65398874

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-N-ethyl-1-(3-ethylcyclohexyl)ethanamine?
The IUPAC name of 2-(2,3-dichlorophenyl)-N-ethyl-1-(3-ethylcyclohexyl)ethanamine (CID 107308723) is 2-(2,3-dichlorophenyl)-N-ethyl-1-(3-ethylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-N-ethyl-1-(3-ethylcyclohexyl)ethanamine?
The canonical SMILES for 2-(2,3-dichlorophenyl)-N-ethyl-1-(3-ethylcyclohexyl)ethanamine is CCNC(Cc1cccc(Cl)c1Cl)C1CCCC(CC)C1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-N-ethyl-1-(3-ethylcyclohexyl)ethanamine?
The InChIKey is NVGJJUCIBNBWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Cl2N/c1-3-13-7-5-8-14(11-13)17(21-4-2)12-15-9-6-10-16(19)18(15)20/h6,9-10,13-14,17,21H,3-5,7-8,11-12H2,1-2H3.
What are the key properties of 2-(2,3-dichlorophenyl)-N-ethyl-1-(3-ethylcyclohexyl)ethanamine?
2-(2,3-dichlorophenyl)-N-ethyl-1-(3-ethylcyclohexyl)ethanamine has a molecular weight of 328.33 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-N-ethyl-1-(3-ethylcyclohexyl)ethanamine is sourced from PubChem (CID 107308723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).