2-(diethylamino)-1-(4-phenylphenyl)ethanone

C18H21NO — CID 768473

IUPAC2-(diethylamino)-1-(4-phenylphenyl)ethanone
SMILESCCN(CC)CC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H21NO/c1-3-19(4-2)14-18(20)17-12-10-16(11-13-17)15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3
InChIKeyHEJGSXRNXDWMAH-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.88
Rot. Bonds6

About 2-(diethylamino)-1-(4-phenylphenyl)ethanone

2-(diethylamino)-1-(4-phenylphenyl)ethanone (PubChem CID 768473) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(diethylamino)-1-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-(4-phenylphenyl)ethanone
PubChem CID768473
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-(diethylamino)-1-(4-phenylphenyl)ethanone
SMILESCCN(CC)CC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H21NO/c1-3-19(4-2)14-18(20)17-12-10-16(11-13-17)15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3
InChIKeyHEJGSXRNXDWMAH-UHFFFAOYSA-N
XLogP3.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-(4-phenylphenyl)ethanone?
The IUPAC name of 2-(diethylamino)-1-(4-phenylphenyl)ethanone (CID 768473) is 2-(diethylamino)-1-(4-phenylphenyl)ethanone.
What is the SMILES notation for 2-(diethylamino)-1-(4-phenylphenyl)ethanone?
The canonical SMILES for 2-(diethylamino)-1-(4-phenylphenyl)ethanone is CCN(CC)CC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(diethylamino)-1-(4-phenylphenyl)ethanone?
The InChIKey is HEJGSXRNXDWMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-3-19(4-2)14-18(20)17-12-10-16(11-13-17)15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3.
What are the key properties of 2-(diethylamino)-1-(4-phenylphenyl)ethanone?
2-(diethylamino)-1-(4-phenylphenyl)ethanone has a molecular weight of 267.37 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-(4-phenylphenyl)ethanone is sourced from PubChem (CID 768473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).