2-(diethylamino)-2-methyl-1-naphthalen-1-ylbutan-1-one

C19H25NO — CID 79057550

IUPAC2-(diethylamino)-2-methyl-1-naphthalen-1-ylbutan-1-one
SMILESCCN(CC)C(C)(CC)C(=O)c1cccc2ccccc12
InChIInChI=1S/C19H25NO/c1-5-19(4,20(6-2)7-3)18(21)17-14-10-12-15-11-8-9-13-16(15)17/h8-14H,5-7H2,1-4H3
InChIKeyQLHZJVVTFFQZSU-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.53
Rot. Bonds6

About 2-(diethylamino)-2-methyl-1-naphthalen-1-ylbutan-1-one

2-(diethylamino)-2-methyl-1-naphthalen-1-ylbutan-1-one (PubChem CID 79057550) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(diethylamino)-2-methyl-1-naphthalen-1-ylbutan-1-one.

Molecular Properties

Compound Name2-(diethylamino)-2-methyl-1-naphthalen-1-ylbutan-1-one
PubChem CID79057550
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-(diethylamino)-2-methyl-1-naphthalen-1-ylbutan-1-one
SMILESCCN(CC)C(C)(CC)C(=O)c1cccc2ccccc12
InChIInChI=1S/C19H25NO/c1-5-19(4,20(6-2)7-3)18(21)17-14-10-12-15-11-8-9-13-16(15)17/h8-14H,5-7H2,1-4H3
InChIKeyQLHZJVVTFFQZSU-UHFFFAOYSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(diethylamino)-1-isoquinolin-8-yl-2-methylbutan-1-one
CID 103143332
2-(diethylamino)-2-methyl-1-quinolin-8-ylbutan-1-one
CID 81196407
1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-one
CID 106644859
1-(2-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one
CID 114601958
2-(diethylamino)-2-methyl-1-(3-propylphenyl)butan-1-one
CID 116543338
2-(diethylamino)-1-(5-fluoro-2-methylphenyl)-2-methylbutan-1-one
CID 79063557
2,2-dibromo-2-fluoro-1-naphthalen-1-ylethanone
CID 175439147
1-naphthalen-1-ylbutane-1,2-dione
CID 139265593
2-chloro-2,2-difluoro-1-naphthalen-1-ylethanone
CID 91636167
1-(3-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one
CID 114601959
1-(4-amino-3-pyridinyl)-2-(diethylamino)-2-methylbutan-1-one
CID 79063685
2-methyl-2-(naphthalene-1-carbonylamino)butanoic acid
CID 79792523

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-methyl-1-naphthalen-1-ylbutan-1-one?
The IUPAC name of 2-(diethylamino)-2-methyl-1-naphthalen-1-ylbutan-1-one (CID 79057550) is 2-(diethylamino)-2-methyl-1-naphthalen-1-ylbutan-1-one.
What is the SMILES notation for 2-(diethylamino)-2-methyl-1-naphthalen-1-ylbutan-1-one?
The canonical SMILES for 2-(diethylamino)-2-methyl-1-naphthalen-1-ylbutan-1-one is CCN(CC)C(C)(CC)C(=O)c1cccc2ccccc12.
What is the InChIKey of 2-(diethylamino)-2-methyl-1-naphthalen-1-ylbutan-1-one?
The InChIKey is QLHZJVVTFFQZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-5-19(4,20(6-2)7-3)18(21)17-14-10-12-15-11-8-9-13-16(15)17/h8-14H,5-7H2,1-4H3.
What are the key properties of 2-(diethylamino)-2-methyl-1-naphthalen-1-ylbutan-1-one?
2-(diethylamino)-2-methyl-1-naphthalen-1-ylbutan-1-one has a molecular weight of 283.42 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-methyl-1-naphthalen-1-ylbutan-1-one is sourced from PubChem (CID 79057550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).