2-(cyclohexen-1-yl)-1-(2,5-dichlorophenyl)-N-ethylethanamine

C16H21Cl2N — CID 116661737

IUPAC2-(cyclohexen-1-yl)-1-(2,5-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(CC1=CCCCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H21Cl2N/c1-2-19-16(10-12-6-4-3-5-7-12)14-11-13(17)8-9-15(14)18/h6,8-9,11,16,19H,2-5,7,10H2,1H3
InChIKeyHPTGQWHQTKZPSS-UHFFFAOYSA-N
MW298.26 g/mol
LogP5.53
Rot. Bonds5

About 2-(cyclohexen-1-yl)-1-(2,5-dichlorophenyl)-N-ethylethanamine

2-(cyclohexen-1-yl)-1-(2,5-dichlorophenyl)-N-ethylethanamine (PubChem CID 116661737) has the molecular formula C16H21Cl2N and a molecular weight of 298.26 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(2,5-dichlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(2,5-dichlorophenyl)-N-ethylethanamine
PubChem CID116661737
Molecular FormulaC16H21Cl2N
Molecular Weight298.26 g/mol
Exact Mass297.11
IUPAC Name2-(cyclohexen-1-yl)-1-(2,5-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(CC1=CCCCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H21Cl2N/c1-2-19-16(10-12-6-4-3-5-7-12)14-11-13(17)8-9-15(14)18/h6,8-9,11,16,19H,2-5,7,10H2,1H3
InChIKeyHPTGQWHQTKZPSS-UHFFFAOYSA-N
XLogP5.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.26
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorothiophen-2-yl)-2-(cyclohexen-1-yl)-N-ethylethanamine
CID 107360185
N-[2-(cyclohexen-1-yl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine
CID 116662088
1-(2,5-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 43492979
2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 116661833
2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine
CID 116661734
2-(2-chloro-3-fluorophenyl)-1-(2,5-dichlorophenyl)-N-ethylethanamine
CID 105032455
1-(2,5-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 43492963
2-(cyclohexen-1-yl)-1-(3,4-dimethoxyphenyl)-N-ethylethanamine
CID 116661815
1-(cyclohexen-1-yl)-3-(3,4-difluorophenyl)-N-ethylpropan-2-amine
CID 116661708
2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115839366
N-[bis(2,5-dichlorophenyl)methyl]ethanamine
CID 43493009
1-(5-bromo-2-chlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863240

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(2,5-dichlorophenyl)-N-ethylethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(2,5-dichlorophenyl)-N-ethylethanamine (CID 116661737) is 2-(cyclohexen-1-yl)-1-(2,5-dichlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(2,5-dichlorophenyl)-N-ethylethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(2,5-dichlorophenyl)-N-ethylethanamine is CCNC(CC1=CCCCC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(2,5-dichlorophenyl)-N-ethylethanamine?
The InChIKey is HPTGQWHQTKZPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N/c1-2-19-16(10-12-6-4-3-5-7-12)14-11-13(17)8-9-15(14)18/h6,8-9,11,16,19H,2-5,7,10H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-(2,5-dichlorophenyl)-N-ethylethanamine?
2-(cyclohexen-1-yl)-1-(2,5-dichlorophenyl)-N-ethylethanamine has a molecular weight of 298.26 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-(2,5-dichlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 116661737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).