(4-chlorophenyl)-[1-(dimethylamino)cyclohexyl]methanone

C15H20ClNO — CID 79066108

IUPAC(4-chlorophenyl)-[1-(dimethylamino)cyclohexyl]methanone
SMILESCN(C)C1(C(=O)c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C15H20ClNO/c1-17(2)15(10-4-3-5-11-15)14(18)12-6-8-13(16)9-7-12/h6-9H,3-5,10-11H2,1-2H3
InChIKeyYPWWSYTUTHOTGC-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.79
Rot. Bonds3

About (4-chlorophenyl)-[1-(dimethylamino)cyclohexyl]methanone

(4-chlorophenyl)-[1-(dimethylamino)cyclohexyl]methanone (PubChem CID 79066108) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-(dimethylamino)cyclohexyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-(dimethylamino)cyclohexyl]methanone
PubChem CID79066108
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name(4-chlorophenyl)-[1-(dimethylamino)cyclohexyl]methanone
SMILESCN(C)C1(C(=O)c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C15H20ClNO/c1-17(2)15(10-4-3-5-11-15)14(18)12-6-8-13(16)9-7-12/h6-9H,3-5,10-11H2,1-2H3
InChIKeyYPWWSYTUTHOTGC-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-(1-hydroxycyclopentyl)methanone
CID 20523462
[1-(dimethylamino)cyclohexyl]-(3-methylphenyl)methanone
CID 79066640
(5-chloro-2-methoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanone
CID 79066338
[1-(dimethylamino)cyclopentyl]-(3-fluoro-4-methoxyphenyl)methanone
CID 79067601
[1-(dimethylamino)cyclopentyl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288197
(2,6-difluorophenyl)-[1-(dimethylamino)cyclohexyl]methanone
CID 79066034
2,3-dihydro-1-benzofuran-5-yl-[1-(dimethylamino)cycloheptyl]methanone
CID 104542328
[1-(dimethylamino)cycloheptyl]-(5-methylthiophen-3-yl)methanone
CID 79074712
4-chloro-N-(1-ethynylcyclohexyl)-N-methylbenzamide
CID 71391064
(4-chlorophenyl)-(2-methylpiperidin-2-yl)methanone
CID 116614044
[1-(dimethylamino)cyclohexyl]-(1-methylpyrazol-4-yl)methanone
CID 79066934
(2-amino-1-methylcyclopentyl)-(4-chlorophenyl)methanone
CID 116607206

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-(dimethylamino)cyclohexyl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-(dimethylamino)cyclohexyl]methanone (CID 79066108) is (4-chlorophenyl)-[1-(dimethylamino)cyclohexyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-(dimethylamino)cyclohexyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-(dimethylamino)cyclohexyl]methanone is CN(C)C1(C(=O)c2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of (4-chlorophenyl)-[1-(dimethylamino)cyclohexyl]methanone?
The InChIKey is YPWWSYTUTHOTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-17(2)15(10-4-3-5-11-15)14(18)12-6-8-13(16)9-7-12/h6-9H,3-5,10-11H2,1-2H3.
What are the key properties of (4-chlorophenyl)-[1-(dimethylamino)cyclohexyl]methanone?
(4-chlorophenyl)-[1-(dimethylamino)cyclohexyl]methanone has a molecular weight of 265.78 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-(dimethylamino)cyclohexyl]methanone is sourced from PubChem (CID 79066108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).