bis[4-(dimethylamino)phenyl]methanone

C17H20N2O — CID 7031

IUPACbis[4-(dimethylamino)phenyl]methanone
SMILESCN(C)c1ccc(C(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3
InChIKeyVVBLNCFGVYUYGU-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.05
Rot. Bonds4

About bis[4-(dimethylamino)phenyl]methanone

bis[4-(dimethylamino)phenyl]methanone (PubChem CID 7031) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is bis[4-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Namebis[4-(dimethylamino)phenyl]methanone
PubChem CID7031
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Namebis[4-(dimethylamino)phenyl]methanone
SMILESCN(C)c1ccc(C(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3
InChIKeyVVBLNCFGVYUYGU-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

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Frequently Asked Questions

What is the IUPAC name of bis[4-(dimethylamino)phenyl]methanone?
The IUPAC name of bis[4-(dimethylamino)phenyl]methanone (CID 7031) is bis[4-(dimethylamino)phenyl]methanone.
What is the SMILES notation for bis[4-(dimethylamino)phenyl]methanone?
The canonical SMILES for bis[4-(dimethylamino)phenyl]methanone is CN(C)c1ccc(C(=O)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of bis[4-(dimethylamino)phenyl]methanone?
The InChIKey is VVBLNCFGVYUYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3.
What are the key properties of bis[4-(dimethylamino)phenyl]methanone?
bis[4-(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[4-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 7031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).