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

C26H29NO2 — CID 57021511

IUPAC[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-naphthalen-2-ylmethanone
SMILESCN(C)Cc1ccc(C2CCC(O)C(C(=O)c3ccc4ccccc4c3)C2)cc1
InChIInChI=1S/C26H29NO2/c1-27(2)17-18-7-9-20(10-8-18)22-13-14-25(28)24(16-22)26(29)23-12-11-19-5-3-4-6-21(19)15-23/h3-12,15,22,24-25,28H,13-14,16-17H2,1-2H3
InChIKeyYBDCLSZWDPKQOX-UHFFFAOYSA-N
MW387.52 g/mol
LogP5.03
Rot. Bonds5

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

[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-naphthalen-2-ylmethanone (PubChem CID 57021511) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is [5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-naphthalen-2-ylmethanone
PubChem CID57021511
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Name[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-naphthalen-2-ylmethanone
SMILESCN(C)Cc1ccc(C2CCC(O)C(C(=O)c3ccc4ccccc4c3)C2)cc1
InChIInChI=1S/C26H29NO2/c1-27(2)17-18-7-9-20(10-8-18)22-13-14-25(28)24(16-22)26(29)23-12-11-19-5-3-4-6-21(19)15-23/h3-12,15,22,24-25,28H,13-14,16-17H2,1-2H3
InChIKeyYBDCLSZWDPKQOX-UHFFFAOYSA-N
XLogP5.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-{[Methyl(naphthylmethyl)amino]methyl}phenyl phenyl ketone
CID 460670
{4-[(Benzylmethylamino)methyl]phenyl}naphthalen-2-yl-methanone
CID 42598738
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-Benzyl-3-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-4-yl)(mesityl)methanone
CID 134821090
N-tert-butyl-2-[5-[1-[tert-butyl(2-hydroxyethyl)carbamoyl]-2-naphthyl]-3-hydroxy-pentyl]-N-(2-hydroxyethyl)naphthalene-1-carboxamide
CID 474994
N,N-diethyl-4-[hydroxy(naphthalen-2-yl)methyl]benzamide
CID 10616656
N-(4-hydroxy-2-naphthalen-2-ylbutyl)-N-methylbenzamide
CID 10711714
N,N-diethyl-4-[hydroxy(naphthalen-1-yl)methyl]benzamide
CID 10854110
[4-[4-[(Dimethylamino)methyl]phenyl]cyclohexyl] 2-naphthalen-2-ylacetate
CID 15284558
[4-[4-[(Dimethylamino)methyl]phenyl]phenyl]-naphthalen-2-ylmethanone;hydrochloride
CID 19742095

Frequently Asked Questions

What is the IUPAC name of [5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-naphthalen-2-ylmethanone?
The IUPAC name of [5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-naphthalen-2-ylmethanone (CID 57021511) is [5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-naphthalen-2-ylmethanone?
The canonical SMILES for [5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-naphthalen-2-ylmethanone is CN(C)Cc1ccc(C2CCC(O)C(C(=O)c3ccc4ccccc4c3)C2)cc1.
What is the InChIKey of [5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-naphthalen-2-ylmethanone?
The InChIKey is YBDCLSZWDPKQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2/c1-27(2)17-18-7-9-20(10-8-18)22-13-14-25(28)24(16-22)26(29)23-12-11-19-5-3-4-6-21(19)15-23/h3-12,15,22,24-25,28H,13-14,16-17H2,1-2H3.
What are the key properties of [5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-naphthalen-2-ylmethanone?
[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-naphthalen-2-ylmethanone has a molecular weight of 387.52 g/mol, XLogP of 5.03, 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]-naphthalen-2-ylmethanone is sourced from PubChem (CID 57021511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).