2-cyclohexyl-2-(2,4-dichlorophenyl)-N-ethylethanamine

C16H23Cl2N — CID 82936894

IUPAC2-cyclohexyl-2-(2,4-dichlorophenyl)-N-ethylethanamine
SMILESCCNCC(c1ccc(Cl)cc1Cl)C1CCCCC1
InChIInChI=1S/C16H23Cl2N/c1-2-19-11-15(12-6-4-3-5-7-12)14-9-8-13(17)10-16(14)18/h8-10,12,15,19H,2-7,11H2,1H3
InChIKeyYARUQSPOQGFHGC-UHFFFAOYSA-N
MW300.27 g/mol
LogP5.27
Rot. Bonds5

About 2-cyclohexyl-2-(2,4-dichlorophenyl)-N-ethylethanamine

2-cyclohexyl-2-(2,4-dichlorophenyl)-N-ethylethanamine (PubChem CID 82936894) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is 2-cyclohexyl-2-(2,4-dichlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-cyclohexyl-2-(2,4-dichlorophenyl)-N-ethylethanamine
PubChem CID82936894
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC Name2-cyclohexyl-2-(2,4-dichlorophenyl)-N-ethylethanamine
SMILESCCNCC(c1ccc(Cl)cc1Cl)C1CCCCC1
InChIInChI=1S/C16H23Cl2N/c1-2-19-11-15(12-6-4-3-5-7-12)14-9-8-13(17)10-16(14)18/h8-10,12,15,19H,2-7,11H2,1H3
InChIKeyYARUQSPOQGFHGC-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.27
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-cyclopentyl-2-(2,4-dichlorophenyl)ethyl]propan-1-amine
CID 82936979
N-[2-cyclohexyl-2-(2,4-dichlorophenyl)ethyl]-2-methylpropan-2-amine
CID 82923870
N-[cyclohexyl-(2,4-dichlorophenyl)methyl]ethanamine
CID 55195117
2-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 82933922
2-(3-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
CID 82937282
[bromo-(2,4-dichlorophenyl)methyl]cyclooctane
CID 65021234
[cyclohexyl-(2,4-dichlorophenyl)methyl]hydrazine
CID 105282000
N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine
CID 43078996
N-[cyclohexyl-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492976
2-cycloheptyl-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 82933615
1-cycloheptyl-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 65398954
2-cyclopentyl-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 82933827

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(2,4-dichlorophenyl)-N-ethylethanamine?
The IUPAC name of 2-cyclohexyl-2-(2,4-dichlorophenyl)-N-ethylethanamine (CID 82936894) is 2-cyclohexyl-2-(2,4-dichlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-cyclohexyl-2-(2,4-dichlorophenyl)-N-ethylethanamine?
The canonical SMILES for 2-cyclohexyl-2-(2,4-dichlorophenyl)-N-ethylethanamine is CCNCC(c1ccc(Cl)cc1Cl)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(2,4-dichlorophenyl)-N-ethylethanamine?
The InChIKey is YARUQSPOQGFHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N/c1-2-19-11-15(12-6-4-3-5-7-12)14-9-8-13(17)10-16(14)18/h8-10,12,15,19H,2-7,11H2,1H3.
What are the key properties of 2-cyclohexyl-2-(2,4-dichlorophenyl)-N-ethylethanamine?
2-cyclohexyl-2-(2,4-dichlorophenyl)-N-ethylethanamine has a molecular weight of 300.27 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(2,4-dichlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 82936894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).