2-(dimethylamino)-1-naphthalen-2-yl-3-phenylpropan-1-one

C21H21NO — CID 13379507

IUPAC2-(dimethylamino)-1-naphthalen-2-yl-3-phenylpropan-1-one
SMILESCN(C)C(Cc1ccccc1)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H21NO/c1-22(2)20(14-16-8-4-3-5-9-16)21(23)19-13-12-17-10-6-7-11-18(17)15-19/h3-13,15,20H,14H2,1-2H3
InChIKeyJHFXHVRZATZGSY-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.20
Rot. Bonds5

About 2-(dimethylamino)-1-naphthalen-2-yl-3-phenylpropan-1-one

2-(dimethylamino)-1-naphthalen-2-yl-3-phenylpropan-1-one (PubChem CID 13379507) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(dimethylamino)-1-naphthalen-2-yl-3-phenylpropan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-1-naphthalen-2-yl-3-phenylpropan-1-one
PubChem CID13379507
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name2-(dimethylamino)-1-naphthalen-2-yl-3-phenylpropan-1-one
SMILESCN(C)C(Cc1ccccc1)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H21NO/c1-22(2)20(14-16-8-4-3-5-9-16)21(23)19-13-12-17-10-6-7-11-18(17)15-19/h3-13,15,20H,14H2,1-2H3
InChIKeyJHFXHVRZATZGSY-UHFFFAOYSA-N
XLogP4.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dimethylamino)-1,3-diphenylpropan-1-one;hydrochloride
CID 15945335
2-benzyl-3-(dimethylamino)-1-naphthalen-2-ylpropan-1-one;hydrochloride
CID 18767247
2-(dimethylamino)-1-[4-(dimethylamino)phenyl]-3-phenylpropan-1-one
CID 67723970
N-[4-[2-(dimethylamino)-3-phenylpropanoyl]phenyl]acetamide
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6-[(2S)-2-(dimethylamino)-3-phenylpropanoyl]-4H-1,4-benzoxazin-3-one
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2-[methyl(naphthalen-2-ylsulfonyl)amino]-3-phenylpropanoic acid
CID 19703222
(2S)-2-hydroxy-1-naphthalen-2-ylpropan-1-one
CID 10130388
(2S)-2-bromo-1-naphthalen-2-ylpentan-1-one
CID 86328422
2-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)butan-1-one
CID 71415166
2-[acetyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid
CID 150245391
(2R)-2-chloro-1-naphthalen-2-ylpropan-1-one
CID 93494503
(2R)-2-amino-1-naphthalen-2-ylpropan-1-one
CID 67852700

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-naphthalen-2-yl-3-phenylpropan-1-one?
The IUPAC name of 2-(dimethylamino)-1-naphthalen-2-yl-3-phenylpropan-1-one (CID 13379507) is 2-(dimethylamino)-1-naphthalen-2-yl-3-phenylpropan-1-one.
What is the SMILES notation for 2-(dimethylamino)-1-naphthalen-2-yl-3-phenylpropan-1-one?
The canonical SMILES for 2-(dimethylamino)-1-naphthalen-2-yl-3-phenylpropan-1-one is CN(C)C(Cc1ccccc1)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-(dimethylamino)-1-naphthalen-2-yl-3-phenylpropan-1-one?
The InChIKey is JHFXHVRZATZGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-22(2)20(14-16-8-4-3-5-9-16)21(23)19-13-12-17-10-6-7-11-18(17)15-19/h3-13,15,20H,14H2,1-2H3.
What are the key properties of 2-(dimethylamino)-1-naphthalen-2-yl-3-phenylpropan-1-one?
2-(dimethylamino)-1-naphthalen-2-yl-3-phenylpropan-1-one has a molecular weight of 303.41 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-naphthalen-2-yl-3-phenylpropan-1-one is sourced from PubChem (CID 13379507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).