1-[6-(dimethylamino)naphthalen-2-yl]-2-hydroxyethanone

C14H15NO2 — CID 177451598

IUPAC1-[6-(dimethylamino)naphthalen-2-yl]-2-hydroxyethanone
SMILESCN(C)c1ccc2cc(C(=O)CO)ccc2c1
InChIInChI=1S/C14H15NO2/c1-15(2)13-6-5-10-7-12(14(17)9-16)4-3-11(10)8-13/h3-8,16H,9H2,1-2H3
InChIKeySKMGLQPZDQVKFB-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.08
Rot. Bonds3

About 1-[6-(dimethylamino)naphthalen-2-yl]-2-hydroxyethanone

1-[6-(dimethylamino)naphthalen-2-yl]-2-hydroxyethanone (PubChem CID 177451598) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[6-(dimethylamino)naphthalen-2-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[6-(dimethylamino)naphthalen-2-yl]-2-hydroxyethanone
PubChem CID177451598
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-[6-(dimethylamino)naphthalen-2-yl]-2-hydroxyethanone
SMILESCN(C)c1ccc2cc(C(=O)CO)ccc2c1
InChIInChI=1S/C14H15NO2/c1-15(2)13-6-5-10-7-12(14(17)9-16)4-3-11(10)8-13/h3-8,16H,9H2,1-2H3
InChIKeySKMGLQPZDQVKFB-UHFFFAOYSA-N
XLogP2.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Acrylodan
CID 104901
1-(6-(Dimethylamino)-2-naphthalenyl)-1-propanone
CID 107729
6-(Dimethylamino)naphthalene-2-carboxylic acid
CID 15333973
1-(6-(Dimethylamino)-2-naphthalenyl)-1-dodecanone
CID 104983
2-(4-Tert-butylphenyl)-1-[4-(dimethylamino)phenyl]-2-hydroxyethanone
CID 2847489
1-(6-(Dimethylamino)naphthalen-2-yl)ethanone
CID 15333970
2-[6-(Dimethylamino)naphthalene-2-carbonyl]prop-2-enyl 2-phenylacetate
CID 168283576
2'-(N,N-Dimethylamino)-6-naphthoyl-4-cyclohexanecarboxylic acid
CID 129865
6-Dimethylamino-2-naphthaldehyde
CID 25195386
6-(Methylamino)naphthalene-2-carboxylic acid hydrochloride
CID 155822192
1-[6-[(2-Fluoroethyl)methylamino]-2-naphthalenyl]ethanone
CID 10399614
3-(dimethylamino)-8,9,10,11-tetrahydro-7H-cyclohepta(a)naphthalen-7-one
CID 90839445

Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylamino)naphthalen-2-yl]-2-hydroxyethanone?
The IUPAC name of 1-[6-(dimethylamino)naphthalen-2-yl]-2-hydroxyethanone (CID 177451598) is 1-[6-(dimethylamino)naphthalen-2-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[6-(dimethylamino)naphthalen-2-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[6-(dimethylamino)naphthalen-2-yl]-2-hydroxyethanone is CN(C)c1ccc2cc(C(=O)CO)ccc2c1.
What is the InChIKey of 1-[6-(dimethylamino)naphthalen-2-yl]-2-hydroxyethanone?
The InChIKey is SKMGLQPZDQVKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-15(2)13-6-5-10-7-12(14(17)9-16)4-3-11(10)8-13/h3-8,16H,9H2,1-2H3.
What are the key properties of 1-[6-(dimethylamino)naphthalen-2-yl]-2-hydroxyethanone?
1-[6-(dimethylamino)naphthalen-2-yl]-2-hydroxyethanone has a molecular weight of 229.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dimethylamino)naphthalen-2-yl]-2-hydroxyethanone is sourced from PubChem (CID 177451598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).