bis[3-(dimethylamino)phenyl]methanone

C17H20N2O — CID 14534104

IUPACbis[3-(dimethylamino)phenyl]methanone
SMILESCN(C)c1cccc(C(=O)c2cccc(N(C)C)c2)c1
InChIInChI=1S/C17H20N2O/c1-18(2)15-9-5-7-13(11-15)17(20)14-8-6-10-16(12-14)19(3)4/h5-12H,1-4H3
InChIKeyBBUVZETUMMBLPS-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.05
Rot. Bonds4

About bis[3-(dimethylamino)phenyl]methanone

bis[3-(dimethylamino)phenyl]methanone (PubChem CID 14534104) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is bis[3-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Namebis[3-(dimethylamino)phenyl]methanone
PubChem CID14534104
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Namebis[3-(dimethylamino)phenyl]methanone
SMILESCN(C)c1cccc(C(=O)c2cccc(N(C)C)c2)c1
InChIInChI=1S/C17H20N2O/c1-18(2)15-9-5-7-13(11-15)17(20)14-8-6-10-16(12-14)19(3)4/h5-12H,1-4H3
InChIKeyBBUVZETUMMBLPS-UHFFFAOYSA-N
XLogP3.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze bis[3-(dimethylamino)phenyl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis[3-(dimethylamino)phenyl]methanone?
The IUPAC name of bis[3-(dimethylamino)phenyl]methanone (CID 14534104) is bis[3-(dimethylamino)phenyl]methanone.
What is the SMILES notation for bis[3-(dimethylamino)phenyl]methanone?
The canonical SMILES for bis[3-(dimethylamino)phenyl]methanone is CN(C)c1cccc(C(=O)c2cccc(N(C)C)c2)c1.
What is the InChIKey of bis[3-(dimethylamino)phenyl]methanone?
The InChIKey is BBUVZETUMMBLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-18(2)15-9-5-7-13(11-15)17(20)14-8-6-10-16(12-14)19(3)4/h5-12H,1-4H3.
What are the key properties of bis[3-(dimethylamino)phenyl]methanone?
bis[3-(dimethylamino)phenyl]methanone has a molecular weight of 268.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 14534104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).