1-[4-(diethylamino)-3-ethylnaphthalen-1-yl]ethanone

C18H23NO — CID 15269387

IUPAC1-[4-(diethylamino)-3-ethylnaphthalen-1-yl]ethanone
SMILESCCc1cc(C(C)=O)c2ccccc2c1N(CC)CC
InChIInChI=1S/C18H23NO/c1-5-14-12-17(13(4)20)15-10-8-9-11-16(15)18(14)19(6-2)7-3/h8-12H,5-7H2,1-4H3
InChIKeyBCEVEHWZRDQMCR-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.45
Rot. Bonds5

About 1-[4-(diethylamino)-3-ethylnaphthalen-1-yl]ethanone

1-[4-(diethylamino)-3-ethylnaphthalen-1-yl]ethanone (PubChem CID 15269387) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[4-(diethylamino)-3-ethylnaphthalen-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(diethylamino)-3-ethylnaphthalen-1-yl]ethanone
PubChem CID15269387
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-[4-(diethylamino)-3-ethylnaphthalen-1-yl]ethanone
SMILESCCc1cc(C(C)=O)c2ccccc2c1N(CC)CC
InChIInChI=1S/C18H23NO/c1-5-14-12-17(13(4)20)15-10-8-9-11-16(15)18(14)19(6-2)7-3/h8-12H,5-7H2,1-4H3
InChIKeyBCEVEHWZRDQMCR-UHFFFAOYSA-N
XLogP4.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(3,4-diaminonaphthalen-1-yl)ethanone
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1-[2-[ethyl(propyl)amino]phenyl]ethanone
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4-(diethylamino)quinoline-3-carboxylic acid
CID 13295830
1-(4-ethylnaphthalen-1-yl)ethanone;1-(4-methylsulfanylnaphthalen-1-yl)ethanone
CID 161367210
1-(8-ethyl-2-methylquinolin-4-yl)ethanone
CID 82447963
1-[2-benzoyl-5-(diethylamino)phenyl]ethanone
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1-(4,5-diethyl-2-methylphenyl)ethanone
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CID 12958459

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)-3-ethylnaphthalen-1-yl]ethanone?
The IUPAC name of 1-[4-(diethylamino)-3-ethylnaphthalen-1-yl]ethanone (CID 15269387) is 1-[4-(diethylamino)-3-ethylnaphthalen-1-yl]ethanone.
What is the SMILES notation for 1-[4-(diethylamino)-3-ethylnaphthalen-1-yl]ethanone?
The canonical SMILES for 1-[4-(diethylamino)-3-ethylnaphthalen-1-yl]ethanone is CCc1cc(C(C)=O)c2ccccc2c1N(CC)CC.
What is the InChIKey of 1-[4-(diethylamino)-3-ethylnaphthalen-1-yl]ethanone?
The InChIKey is BCEVEHWZRDQMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-5-14-12-17(13(4)20)15-10-8-9-11-16(15)18(14)19(6-2)7-3/h8-12H,5-7H2,1-4H3.
What are the key properties of 1-[4-(diethylamino)-3-ethylnaphthalen-1-yl]ethanone?
1-[4-(diethylamino)-3-ethylnaphthalen-1-yl]ethanone has a molecular weight of 269.39 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)-3-ethylnaphthalen-1-yl]ethanone is sourced from PubChem (CID 15269387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).