1-[2-(2,4-dichlorophenyl)ethylamino]cyclohexane-1-carbonitrile

C15H18Cl2N2 — CID 28702772

IUPAC1-[2-(2,4-dichlorophenyl)ethylamino]cyclohexane-1-carbonitrile
SMILESN#CC1(NCCc2ccc(Cl)cc2Cl)CCCCC1
InChIInChI=1S/C15H18Cl2N2/c16-13-5-4-12(14(17)10-13)6-9-19-15(11-18)7-2-1-3-8-15/h4-5,10,19H,1-3,6-9H2
InChIKeyOTEWGSPHEXGNAM-UHFFFAOYSA-N
MW297.23 g/mol
LogP4.35
Rot. Bonds4

About 1-[2-(2,4-dichlorophenyl)ethylamino]cyclohexane-1-carbonitrile

1-[2-(2,4-dichlorophenyl)ethylamino]cyclohexane-1-carbonitrile (PubChem CID 28702772) has the molecular formula C15H18Cl2N2 and a molecular weight of 297.23 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)ethylamino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)ethylamino]cyclohexane-1-carbonitrile
PubChem CID28702772
Molecular FormulaC15H18Cl2N2
Molecular Weight297.23 g/mol
Exact Mass296.08
IUPAC Name1-[2-(2,4-dichlorophenyl)ethylamino]cyclohexane-1-carbonitrile
SMILESN#CC1(NCCc2ccc(Cl)cc2Cl)CCCCC1
InChIInChI=1S/C15H18Cl2N2/c16-13-5-4-12(14(17)10-13)6-9-19-15(11-18)7-2-1-3-8-15/h4-5,10,19H,1-3,6-9H2
InChIKeyOTEWGSPHEXGNAM-UHFFFAOYSA-N
XLogP4.35
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)ethylamino]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)ethylamino]cyclohexane-1-carbonitrile (CID 28702772) is 1-[2-(2,4-dichlorophenyl)ethylamino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)ethylamino]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)ethylamino]cyclohexane-1-carbonitrile is N#CC1(NCCc2ccc(Cl)cc2Cl)CCCCC1.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)ethylamino]cyclohexane-1-carbonitrile?
The InChIKey is OTEWGSPHEXGNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2/c16-13-5-4-12(14(17)10-13)6-9-19-15(11-18)7-2-1-3-8-15/h4-5,10,19H,1-3,6-9H2.
What are the key properties of 1-[2-(2,4-dichlorophenyl)ethylamino]cyclohexane-1-carbonitrile?
1-[2-(2,4-dichlorophenyl)ethylamino]cyclohexane-1-carbonitrile has a molecular weight of 297.23 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)ethylamino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 28702772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).