[4-[2-(dimethylamino)ethyl]phenyl]-phenylmethanone

C17H19NO — CID 44720417

IUPAC[4-[2-(dimethylamino)ethyl]phenyl]-phenylmethanone
SMILESCN(C)CCc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO/c1-18(2)13-12-14-8-10-16(11-9-14)17(19)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
InChIKeyVGXCEFYJYQCYOX-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.02
Rot. Bonds5

About [4-[2-(dimethylamino)ethyl]phenyl]-phenylmethanone

[4-[2-(dimethylamino)ethyl]phenyl]-phenylmethanone (PubChem CID 44720417) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is [4-[2-(dimethylamino)ethyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[2-(dimethylamino)ethyl]phenyl]-phenylmethanone
PubChem CID44720417
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name[4-[2-(dimethylamino)ethyl]phenyl]-phenylmethanone
SMILESCN(C)CCc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO/c1-18(2)13-12-14-8-10-16(11-9-14)17(19)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
InChIKeyVGXCEFYJYQCYOX-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-[2-(dimethylamino)ethyl]phenyl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-but-2-enedioic acid;[4-[6-(dimethylamino)hexyl]phenyl]-phenylmethanone
CID 19883668
(4-benzoylphenyl)methyl-[2-[(4-benzoylphenyl)methyl-dimethylazaniumyl]ethyl]-dimethylazanium;N,N,N',N'-tetramethylethane-1,2-diamine;dibromide
CID 158276235
[4-(2-aminoethyl)phenyl]-phenylmethanone
CID 14368635
N,N-dimethyl-2-phenylethanamine;hydrazine
CID 159470324
[1-[2-(dimethylamino)ethyl]pyridin-1-ium-4-yl]-phenylmethanone
CID 834039
butanoic acid;N,N-dimethyl-2-phenylethanamine
CID 174426919
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;molybdenum
CID 159586330
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
[1-[2-(dimethylamino)ethyl]pyridin-1-ium-4-yl]-phenylmethanone;chloride;hydrochloride
CID 24746914
[4-[7-(dimethylamino)heptyl]phenyl]-(4-fluorophenyl)methanone
CID 19883676
[4-[(dimethylamino)methyl]phenyl]-phenylmethanone;prop-2-enoic acid;hydrochloride
CID 175497028
4-(4-benzoylphenyl)-1-phenylbutan-1-one
CID 15737707

Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)ethyl]phenyl]-phenylmethanone?
The IUPAC name of [4-[2-(dimethylamino)ethyl]phenyl]-phenylmethanone (CID 44720417) is [4-[2-(dimethylamino)ethyl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[2-(dimethylamino)ethyl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[2-(dimethylamino)ethyl]phenyl]-phenylmethanone is CN(C)CCc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [4-[2-(dimethylamino)ethyl]phenyl]-phenylmethanone?
The InChIKey is VGXCEFYJYQCYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-18(2)13-12-14-8-10-16(11-9-14)17(19)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3.
What are the key properties of [4-[2-(dimethylamino)ethyl]phenyl]-phenylmethanone?
[4-[2-(dimethylamino)ethyl]phenyl]-phenylmethanone has a molecular weight of 253.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)ethyl]phenyl]-phenylmethanone is sourced from PubChem (CID 44720417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).