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

C15H18ClNO — CID 175247770

IUPAC2-(2-chlorophenyl)-2-(cyclopropylamino)cyclohexan-1-one
SMILESO=C1CCCCC1(NC1CC1)c1ccccc1Cl
InChIInChI=1S/C15H18ClNO/c16-13-6-2-1-5-12(13)15(17-11-8-9-11)10-4-3-7-14(15)18/h1-2,5-6,11,17H,3-4,7-10H2
InChIKeyGWFLZLQWZVVVMA-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.43
Rot. Bonds3

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

2-(2-chlorophenyl)-2-(cyclopropylamino)cyclohexan-1-one (PubChem CID 175247770) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(cyclopropylamino)cyclohexan-1-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(cyclopropylamino)cyclohexan-1-one
PubChem CID175247770
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name2-(2-chlorophenyl)-2-(cyclopropylamino)cyclohexan-1-one
SMILESO=C1CCCCC1(NC1CC1)c1ccccc1Cl
InChIInChI=1S/C15H18ClNO/c16-13-6-2-1-5-12(13)15(17-11-8-9-11)10-4-3-7-14(15)18/h1-2,5-6,11,17H,3-4,7-10H2
InChIKeyGWFLZLQWZVVVMA-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.43
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-(cyclopropylamino)cyclohexan-1-one?
The IUPAC name of 2-(2-chlorophenyl)-2-(cyclopropylamino)cyclohexan-1-one (CID 175247770) is 2-(2-chlorophenyl)-2-(cyclopropylamino)cyclohexan-1-one.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(cyclopropylamino)cyclohexan-1-one?
The canonical SMILES for 2-(2-chlorophenyl)-2-(cyclopropylamino)cyclohexan-1-one is O=C1CCCCC1(NC1CC1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-(cyclopropylamino)cyclohexan-1-one?
The InChIKey is GWFLZLQWZVVVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c16-13-6-2-1-5-12(13)15(17-11-8-9-11)10-4-3-7-14(15)18/h1-2,5-6,11,17H,3-4,7-10H2.
What are the key properties of 2-(2-chlorophenyl)-2-(cyclopropylamino)cyclohexan-1-one?
2-(2-chlorophenyl)-2-(cyclopropylamino)cyclohexan-1-one has a molecular weight of 263.77 g/mol, XLogP of 3.43, 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-(cyclopropylamino)cyclohexan-1-one is sourced from PubChem (CID 175247770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).