[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-phenylmethanone

C22H27NO2 — CID 57193711

IUPAC[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-phenylmethanone
SMILESCN(C)Cc1ccc(C2CCC(O)C(C(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C22H27NO2/c1-23(2)15-16-8-10-17(11-9-16)19-12-13-21(24)20(14-19)22(25)18-6-4-3-5-7-18/h3-11,19-21,24H,12-15H2,1-2H3
InChIKeyAVRZESAKNQHOKK-UHFFFAOYSA-N
MW337.46 g/mol
LogP3.88
Rot. Bonds5

About [5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-phenylmethanone

[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-phenylmethanone (PubChem CID 57193711) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is [5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-phenylmethanone.

Molecular Properties

Compound Name[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-phenylmethanone
PubChem CID57193711
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-phenylmethanone
SMILESCN(C)Cc1ccc(C2CCC(O)C(C(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C22H27NO2/c1-23(2)15-16-8-10-17(11-9-16)19-12-13-21(24)20(14-19)22(25)18-6-4-3-5-7-18/h3-11,19-21,24H,12-15H2,1-2H3
InChIKeyAVRZESAKNQHOKK-UHFFFAOYSA-N
XLogP3.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
2-fluoro-4-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,N-dimethylbenzamide
CID 58055166
N-[2-(dimethylamino)ethyl]-3-[4-[(6S)-6-(4-fluorocyclohexyl)-6-hydroxyhexyl]phenyl]-N-methylbenzamide
CID 143501527
(N-Benzyl-3-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-4-yl)(mesityl)methanone
CID 134821090
(N-Benzyl-3-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-4-yl)(phenyl)methanone
CID 134821127
1-[4-[(3R,4S)-1-benzyl-4-hydroxypyrrolidin-3-yl]phenyl]ethanone
CID 134951863
(2-Hydroxycyclohexyl)methyl-[2-[4-[2-[(2-hydroxycyclohexyl)methyl-dimethylazaniumyl]acetyl]phenyl]-2-oxoethyl]-dimethylazanium
CID 34122
1-(4-{[4-(1-Hydroxy-3-methylbutyl)piperidin-1-YL]methyl}phenyl)ethanone
CID 50962477
2-[4-Hydroxy-2-(4-phenylphenyl)piperidin-1-yl]-1-phenylethanone
CID 18423553
(E)-but-2-enedioic acid;9-hydroxy-1-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]nonan-1-one
CID 19742062
9-Hydroxy-1-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]nonan-1-one
CID 19742063

Frequently Asked Questions

What is the IUPAC name of [5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-phenylmethanone?
The IUPAC name of [5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-phenylmethanone (CID 57193711) is [5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-phenylmethanone.
What is the SMILES notation for [5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-phenylmethanone?
The canonical SMILES for [5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-phenylmethanone is CN(C)Cc1ccc(C2CCC(O)C(C(=O)c3ccccc3)C2)cc1.
What is the InChIKey of [5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-phenylmethanone?
The InChIKey is AVRZESAKNQHOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-23(2)15-16-8-10-17(11-9-16)19-12-13-21(24)20(14-19)22(25)18-6-4-3-5-7-18/h3-11,19-21,24H,12-15H2,1-2H3.
What are the key properties of [5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-phenylmethanone?
[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-phenylmethanone has a molecular weight of 337.46 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-phenylmethanone is sourced from PubChem (CID 57193711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).