2-(2-chlorophenyl)-2-(ethylamino)cyclohexan-1-one

C14H18ClNO — CID 57483649

IUPAC2-(2-chlorophenyl)-2-(ethylamino)cyclohexan-1-one
SMILESCCNC1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C14H18ClNO/c1-2-16-14(10-6-5-9-13(14)17)11-7-3-4-8-12(11)15/h3-4,7-8,16H,2,5-6,9-10H2,1H3
InChIKeyITBBBZIIFJJMDU-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.29
Rot. Bonds3

About 2-(2-chlorophenyl)-2-(ethylamino)cyclohexan-1-one

2-(2-chlorophenyl)-2-(ethylamino)cyclohexan-1-one (PubChem CID 57483649) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(ethylamino)cyclohexan-1-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(ethylamino)cyclohexan-1-one
PubChem CID57483649
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name2-(2-chlorophenyl)-2-(ethylamino)cyclohexan-1-one
SMILESCCNC1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C14H18ClNO/c1-2-16-14(10-6-5-9-13(14)17)11-7-3-4-8-12(11)15/h3-4,7-8,16H,2,5-6,9-10H2,1H3
InChIKeyITBBBZIIFJJMDU-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(ethylamino)cyclohexan-1-one?
The IUPAC name of 2-(2-chlorophenyl)-2-(ethylamino)cyclohexan-1-one (CID 57483649) is 2-(2-chlorophenyl)-2-(ethylamino)cyclohexan-1-one.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(ethylamino)cyclohexan-1-one?
The canonical SMILES for 2-(2-chlorophenyl)-2-(ethylamino)cyclohexan-1-one is CCNC1(c2ccccc2Cl)CCCCC1=O.
What is the InChIKey of 2-(2-chlorophenyl)-2-(ethylamino)cyclohexan-1-one?
The InChIKey is ITBBBZIIFJJMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-2-16-14(10-6-5-9-13(14)17)11-7-3-4-8-12(11)15/h3-4,7-8,16H,2,5-6,9-10H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-2-(ethylamino)cyclohexan-1-one?
2-(2-chlorophenyl)-2-(ethylamino)cyclohexan-1-one has a molecular weight of 251.76 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(ethylamino)cyclohexan-1-one is sourced from PubChem (CID 57483649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).