1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-phenylethanone

C23H29NO2 — CID 57191059

IUPAC1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-phenylethanone
SMILESCN(C)Cc1ccc(C2CCC(O)C(C(=O)Cc3ccccc3)C2)cc1
InChIInChI=1S/C23H29NO2/c1-24(2)16-18-8-10-19(11-9-18)20-12-13-22(25)21(15-20)23(26)14-17-6-4-3-5-7-17/h3-11,20-22,25H,12-16H2,1-2H3
InChIKeyIXTRAOPHETWXAN-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.80
Rot. Bonds6

About 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-phenylethanone

1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-phenylethanone (PubChem CID 57191059) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-phenylethanone.

Molecular Properties

Compound Name1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-phenylethanone
PubChem CID57191059
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-phenylethanone
SMILESCN(C)Cc1ccc(C2CCC(O)C(C(=O)Cc3ccccc3)C2)cc1
InChIInChI=1S/C23H29NO2/c1-24(2)16-18-8-10-19(11-9-18)20-12-13-22(25)21(15-20)23(26)14-17-6-4-3-5-7-17/h3-11,20-22,25H,12-16H2,1-2H3
InChIKeyIXTRAOPHETWXAN-UHFFFAOYSA-N
XLogP3.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[4-[(Dimethylamino)methyl]phenyl]cyclohexyl] 3-(4-fluorophenyl)propanoate
CID 21843704
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
(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,4S,5R)-2-(dibenzylamino)-5-hydroxy-4,6-dimethyl-1-phenylhept-6-en-3-one
CID 101151799
(2S,5S)-2-(dibenzylamino)-5-hydroxy-6-methyl-1-phenylheptan-3-one
CID 134905083
[4-[4-[(Dimethylamino)methyl]phenyl]cyclohexyl] 2-cyclohexylacetate
CID 12971690
[4-[4-[(Dimethylamino)methyl]phenyl]cyclohexyl] 2-phenylpropanoate
CID 15284553
[4-[4-[(Dimethylamino)methyl]phenyl]cyclohexyl] 2-(4-methylphenyl)acetate
CID 15284556

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-phenylethanone?
The IUPAC name of 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-phenylethanone (CID 57191059) is 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-phenylethanone.
What is the SMILES notation for 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-phenylethanone?
The canonical SMILES for 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-phenylethanone is CN(C)Cc1ccc(C2CCC(O)C(C(=O)Cc3ccccc3)C2)cc1.
What is the InChIKey of 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-phenylethanone?
The InChIKey is IXTRAOPHETWXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-24(2)16-18-8-10-19(11-9-18)20-12-13-22(25)21(15-20)23(26)14-17-6-4-3-5-7-17/h3-11,20-22,25H,12-16H2,1-2H3.
What are the key properties of 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-phenylethanone?
1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-phenylethanone has a molecular weight of 351.49 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-phenylethanone is sourced from PubChem (CID 57191059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).