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

C19H29NO2 — CID 57317191

IUPAC1-[5-[4-(diethylaminomethyl)phenyl]-2-hydroxycyclohexyl]ethanone
SMILESCCN(CC)Cc1ccc(C2CCC(O)C(C(C)=O)C2)cc1
InChIInChI=1S/C19H29NO2/c1-4-20(5-2)13-15-6-8-16(9-7-15)17-10-11-19(22)18(12-17)14(3)21/h6-9,17-19,22H,4-5,10-13H2,1-3H3
InChIKeyYDOWHSXBXKVQDN-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.36
Rot. Bonds6

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

1-[5-[4-(diethylaminomethyl)phenyl]-2-hydroxycyclohexyl]ethanone (PubChem CID 57317191) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-[5-[4-(diethylaminomethyl)phenyl]-2-hydroxycyclohexyl]ethanone.

Molecular Properties

Compound Name1-[5-[4-(diethylaminomethyl)phenyl]-2-hydroxycyclohexyl]ethanone
PubChem CID57317191
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name1-[5-[4-(diethylaminomethyl)phenyl]-2-hydroxycyclohexyl]ethanone
SMILESCCN(CC)Cc1ccc(C2CCC(O)C(C(C)=O)C2)cc1
InChIInChI=1S/C19H29NO2/c1-4-20(5-2)13-15-6-8-16(9-7-15)17-10-11-19(22)18(12-17)14(3)21/h6-9,17-19,22H,4-5,10-13H2,1-3H3
InChIKeyYDOWHSXBXKVQDN-UHFFFAOYSA-N
XLogP3.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 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
1-[5-[4-[(Dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-3-(4-fluorophenyl)prop-2-en-1-one
CID 57209308
5,5-Bis(4-fluorophenyl)-3-(hydroxymethyl)-5-piperidin-1-ylpentan-2-one
CID 67739822
5-(4-Fluorophenyl)-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one
CID 67739998
(2S,5R)-2-(dibenzylamino)-5-hydroxy-6-methyl-1-phenylheptan-3-one
CID 14945379
(2S,4S,5S)-2-(dibenzylamino)-5-hydroxy-4-methyl-1-phenylhexan-3-one
CID 101151796
(2S,4S,5S)-2-(dibenzylamino)-5-hydroxy-4-methyl-1-phenylheptan-3-one
CID 101151797
(2S,4S,5S)-2-(dibenzylamino)-5-hydroxy-4,6-dimethyl-1-phenylheptan-3-one
CID 101151798
(2S,3S,5S)-5-(dibenzylamino)-2-hydroxy-3,6-dimethylheptan-4-one
CID 134904473
(3S,5S,6S)-3-(dibenzylamino)-6-hydroxy-2,5-dimethyloctan-4-one
CID 134904502
(3S,5S,6S)-3-(dibenzylamino)-6-hydroxy-2,5,7-trimethyloctan-4-one
CID 134904553
(2S,5S)-2-(dibenzylamino)-5-hydroxy-6-methyl-1-phenylheptan-3-one
CID 134905083

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(diethylaminomethyl)phenyl]-2-hydroxycyclohexyl]ethanone?
The IUPAC name of 1-[5-[4-(diethylaminomethyl)phenyl]-2-hydroxycyclohexyl]ethanone (CID 57317191) is 1-[5-[4-(diethylaminomethyl)phenyl]-2-hydroxycyclohexyl]ethanone.
What is the SMILES notation for 1-[5-[4-(diethylaminomethyl)phenyl]-2-hydroxycyclohexyl]ethanone?
The canonical SMILES for 1-[5-[4-(diethylaminomethyl)phenyl]-2-hydroxycyclohexyl]ethanone is CCN(CC)Cc1ccc(C2CCC(O)C(C(C)=O)C2)cc1.
What is the InChIKey of 1-[5-[4-(diethylaminomethyl)phenyl]-2-hydroxycyclohexyl]ethanone?
The InChIKey is YDOWHSXBXKVQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-4-20(5-2)13-15-6-8-16(9-7-15)17-10-11-19(22)18(12-17)14(3)21/h6-9,17-19,22H,4-5,10-13H2,1-3H3.
What are the key properties of 1-[5-[4-(diethylaminomethyl)phenyl]-2-hydroxycyclohexyl]ethanone?
1-[5-[4-(diethylaminomethyl)phenyl]-2-hydroxycyclohexyl]ethanone has a molecular weight of 303.45 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(diethylaminomethyl)phenyl]-2-hydroxycyclohexyl]ethanone is sourced from PubChem (CID 57317191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).