1-[4-(dimethylamino)phenyl]-2-hydroxy-2-naphthalen-1-ylethanone

C20H19NO2 — CID 71376759

IUPAC1-[4-(dimethylamino)phenyl]-2-hydroxy-2-naphthalen-1-ylethanone
SMILESCN(C)c1ccc(C(=O)C(O)c2cccc3ccccc23)cc1
InChIInChI=1S/C20H19NO2/c1-21(2)16-12-10-15(11-13-16)19(22)20(23)18-9-5-7-14-6-3-4-8-17(14)18/h3-13,20,23H,1-2H3
InChIKeyPAVAFGRJUONCHR-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.82
Rot. Bonds4

About 1-[4-(dimethylamino)phenyl]-2-hydroxy-2-naphthalen-1-ylethanone

1-[4-(dimethylamino)phenyl]-2-hydroxy-2-naphthalen-1-ylethanone (PubChem CID 71376759) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-2-hydroxy-2-naphthalen-1-ylethanone.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-2-hydroxy-2-naphthalen-1-ylethanone
PubChem CID71376759
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name1-[4-(dimethylamino)phenyl]-2-hydroxy-2-naphthalen-1-ylethanone
SMILESCN(C)c1ccc(C(=O)C(O)c2cccc3ccccc23)cc1
InChIInChI=1S/C20H19NO2/c1-21(2)16-12-10-15(11-13-16)19(22)20(23)18-9-5-7-14-6-3-4-8-17(14)18/h3-13,20,23H,1-2H3
InChIKeyPAVAFGRJUONCHR-UHFFFAOYSA-N
XLogP3.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 9228968
2-[4-(dimethylamino)phenyl]-2-hydroxy-1-(4-methoxyphenyl)ethanone
CID 23319775
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
tert-butyl (2R)-2-hydroxy-2-naphthalen-1-ylacetate
CID 174374928
1-[4-(dimethylamino)phenyl]-3-(1-hydroxynaphthalen-2-yl)propane-1,3-dione
CID 170903130
2-(dimethylamino)-1-[4-(dimethylamino)phenyl]-3-phenylpropan-1-one
CID 67723970
1-[4-(dimethylamino)phenyl]-2-isoquinolin-1-ylethanone
CID 11529405
2,2-bis[4-(dimethylamino)phenyl]-1-naphthalen-2-ylethanone
CID 102341898
2-amino-N-methyl-2-naphthalen-1-yl-N-phenylacetamide
CID 22465041
N,N',2-trimethyl-N'-[(2S)-2-naphthalen-1-ylpropanoyl]propanehydrazide
CID 27877300
[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
[4-(dimethylamino)phenyl]-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108547222

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-2-hydroxy-2-naphthalen-1-ylethanone?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-2-hydroxy-2-naphthalen-1-ylethanone (CID 71376759) is 1-[4-(dimethylamino)phenyl]-2-hydroxy-2-naphthalen-1-ylethanone.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-2-hydroxy-2-naphthalen-1-ylethanone?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-2-hydroxy-2-naphthalen-1-ylethanone is CN(C)c1ccc(C(=O)C(O)c2cccc3ccccc23)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-2-hydroxy-2-naphthalen-1-ylethanone?
The InChIKey is PAVAFGRJUONCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-21(2)16-12-10-15(11-13-16)19(22)20(23)18-9-5-7-14-6-3-4-8-17(14)18/h3-13,20,23H,1-2H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-2-hydroxy-2-naphthalen-1-ylethanone?
1-[4-(dimethylamino)phenyl]-2-hydroxy-2-naphthalen-1-ylethanone has a molecular weight of 305.38 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-2-hydroxy-2-naphthalen-1-ylethanone is sourced from PubChem (CID 71376759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).