2-cyclohexyl-1-(2,6-dichlorophenyl)-N-ethylethanamine

C16H23Cl2N — CID 115841954

IUPAC2-cyclohexyl-1-(2,6-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(CC1CCCCC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H23Cl2N/c1-2-19-15(11-12-7-4-3-5-8-12)16-13(17)9-6-10-14(16)18/h6,9-10,12,15,19H,2-5,7-8,11H2,1H3
InChIKeyYJYNECTZICCXJN-UHFFFAOYSA-N
MW300.27 g/mol
LogP5.61
Rot. Bonds5

About 2-cyclohexyl-1-(2,6-dichlorophenyl)-N-ethylethanamine

2-cyclohexyl-1-(2,6-dichlorophenyl)-N-ethylethanamine (PubChem CID 115841954) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2,6-dichlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-cyclohexyl-1-(2,6-dichlorophenyl)-N-ethylethanamine
PubChem CID115841954
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC Name2-cyclohexyl-1-(2,6-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(CC1CCCCC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H23Cl2N/c1-2-19-15(11-12-7-4-3-5-8-12)16-13(17)9-6-10-14(16)18/h6,9-10,12,15,19H,2-5,7-8,11H2,1H3
InChIKeyYJYNECTZICCXJN-UHFFFAOYSA-N
XLogP5.61
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 ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine
CID 115863424
1-(4-chloro-3-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
CID 107992592
2-cyclohexyl-N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)ethanamine
CID 106878239
1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
CID 63418000
1-(2-bromo-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine
CID 114887295
2-cyclohexyl-N-ethyl-1-naphthalen-1-ylethanamine
CID 63416140
2-cycloheptyl-1-(2,3-dimethylphenyl)-N-ethylethanamine
CID 115850456
1-(3-chlorothiophen-2-yl)-2-cyclopentyl-N-ethylethanamine
CID 80528924
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 105012664
N-[(2,6-dichlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 104992303
1-(2-chloro-4-methylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 106857386
1-(2-chlorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 63415363

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(2,6-dichlorophenyl)-N-ethylethanamine?
The IUPAC name of 2-cyclohexyl-1-(2,6-dichlorophenyl)-N-ethylethanamine (CID 115841954) is 2-cyclohexyl-1-(2,6-dichlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-cyclohexyl-1-(2,6-dichlorophenyl)-N-ethylethanamine?
The canonical SMILES for 2-cyclohexyl-1-(2,6-dichlorophenyl)-N-ethylethanamine is CCNC(CC1CCCCC1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-cyclohexyl-1-(2,6-dichlorophenyl)-N-ethylethanamine?
The InChIKey is YJYNECTZICCXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N/c1-2-19-15(11-12-7-4-3-5-8-12)16-13(17)9-6-10-14(16)18/h6,9-10,12,15,19H,2-5,7-8,11H2,1H3.
What are the key properties of 2-cyclohexyl-1-(2,6-dichlorophenyl)-N-ethylethanamine?
2-cyclohexyl-1-(2,6-dichlorophenyl)-N-ethylethanamine has a molecular weight of 300.27 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2,6-dichlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 115841954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).