2-(4-chlorophenyl)-1-[5-[4-(diethylaminomethyl)phenyl]-2-hydroxycyclohexyl]ethanone

C25H32ClNO2 — CID 57195312

IUPAC2-(4-chlorophenyl)-1-[5-[4-(diethylaminomethyl)phenyl]-2-hydroxycyclohexyl]ethanone
SMILESCCN(CC)Cc1ccc(C2CCC(O)C(C(=O)Cc3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C25H32ClNO2/c1-3-27(4-2)17-19-5-9-20(10-6-19)21-11-14-24(28)23(16-21)25(29)15-18-7-12-22(26)13-8-18/h5-10,12-13,21,23-24,28H,3-4,11,14-17H2,1-2H3
InChIKeyIUOMJCXKLBKGFL-UHFFFAOYSA-N
MW413.99 g/mol
LogP5.24
Rot. Bonds8

About 2-(4-chlorophenyl)-1-[5-[4-(diethylaminomethyl)phenyl]-2-hydroxycyclohexyl]ethanone

2-(4-chlorophenyl)-1-[5-[4-(diethylaminomethyl)phenyl]-2-hydroxycyclohexyl]ethanone (PubChem CID 57195312) has the molecular formula C25H32ClNO2 and a molecular weight of 413.99 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[5-[4-(diethylaminomethyl)phenyl]-2-hydroxycyclohexyl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[5-[4-(diethylaminomethyl)phenyl]-2-hydroxycyclohexyl]ethanone
PubChem CID57195312
Molecular FormulaC25H32ClNO2
Molecular Weight413.99 g/mol
Exact Mass413.21
IUPAC Name2-(4-chlorophenyl)-1-[5-[4-(diethylaminomethyl)phenyl]-2-hydroxycyclohexyl]ethanone
SMILESCCN(CC)Cc1ccc(C2CCC(O)C(C(=O)Cc3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C25H32ClNO2/c1-3-27(4-2)17-19-5-9-20(10-6-19)21-11-14-24(28)23(16-21)25(29)15-18-7-12-22(26)13-8-18/h5-10,12-13,21,23-24,28H,3-4,11,14-17H2,1-2H3
InChIKeyIUOMJCXKLBKGFL-UHFFFAOYSA-N
XLogP5.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.99
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-1-[5-[4-(diethylaminomethyl)phenyl]-2-hydroxycyclohexyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-[4-[(Dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-fluorophenyl)ethanone
CID 57100637
trans-O-(4-chlorophenylacetyl)-4-(4-dimethylaminomethylphenyl)-cyclohexanol
CID 9886451
[4-[4-(Diethylaminomethyl)phenyl]cyclohexyl] 2-(4-chlorophenyl)acetate
CID 21843691
trans-O-(4-Chlorophenylacetyl)-4-(4-dimethylaminomethylphenyl)-cyclohexanol-hydrochloride
CID 21843695
[4-[4-[(Dimethylamino)methyl]phenyl]cyclohexyl] 3-(4-chlorophenyl)propanoate
CID 21843706
[4-[4-[(Dipropylamino)methyl]phenyl]cyclohexyl] 2-(4-chlorophenyl)acetate
CID 21843709
[4-[4-(Piperidin-1-ylmethyl)phenyl]cyclohexyl] 2-(4-chlorophenyl)acetate
CID 21843712
[4-[4-[[Bis(prop-2-enyl)amino]methyl]phenyl]cyclohexyl] 2-(4-chlorophenyl)acetate
CID 21843728
1-[5-[4-[[Bis(prop-2-enyl)amino]methyl]phenyl]-2-hydroxycyclohexyl]ethanone
CID 56975416
3-(4-Chlorophenyl)-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]prop-2-en-1-one
CID 56988654
(4-Chloro-3-methylphenyl)-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]methanone
CID 57002873
1-[5-[4-[(Dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]butan-1-one
CID 57005149

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[5-[4-(diethylaminomethyl)phenyl]-2-hydroxycyclohexyl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[5-[4-(diethylaminomethyl)phenyl]-2-hydroxycyclohexyl]ethanone (CID 57195312) is 2-(4-chlorophenyl)-1-[5-[4-(diethylaminomethyl)phenyl]-2-hydroxycyclohexyl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[5-[4-(diethylaminomethyl)phenyl]-2-hydroxycyclohexyl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[5-[4-(diethylaminomethyl)phenyl]-2-hydroxycyclohexyl]ethanone is CCN(CC)Cc1ccc(C2CCC(O)C(C(=O)Cc3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[5-[4-(diethylaminomethyl)phenyl]-2-hydroxycyclohexyl]ethanone?
The InChIKey is IUOMJCXKLBKGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClNO2/c1-3-27(4-2)17-19-5-9-20(10-6-19)21-11-14-24(28)23(16-21)25(29)15-18-7-12-22(26)13-8-18/h5-10,12-13,21,23-24,28H,3-4,11,14-17H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-[5-[4-(diethylaminomethyl)phenyl]-2-hydroxycyclohexyl]ethanone?
2-(4-chlorophenyl)-1-[5-[4-(diethylaminomethyl)phenyl]-2-hydroxycyclohexyl]ethanone has a molecular weight of 413.99 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[5-[4-(diethylaminomethyl)phenyl]-2-hydroxycyclohexyl]ethanone is sourced from PubChem (CID 57195312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).