1-[2,3-bis(dimethylamino)phenyl]-3-phenylprop-2-en-1-one

C19H22N2O — CID 175290559

IUPAC1-[2,3-bis(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
SMILESCN(C)c1cccc(C(=O)C=Cc2ccccc2)c1N(C)C
InChIInChI=1S/C19H22N2O/c1-20(2)17-12-8-11-16(19(17)21(3)4)18(22)14-13-15-9-6-5-7-10-15/h5-14H,1-4H3
InChIKeyJDYGMNBJMBRTFA-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.71
Rot. Bonds5

About 1-[2,3-bis(dimethylamino)phenyl]-3-phenylprop-2-en-1-one

1-[2,3-bis(dimethylamino)phenyl]-3-phenylprop-2-en-1-one (PubChem CID 175290559) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[2,3-bis(dimethylamino)phenyl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name1-[2,3-bis(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
PubChem CID175290559
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-[2,3-bis(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
SMILESCN(C)c1cccc(C(=O)C=Cc2ccccc2)c1N(C)C
InChIInChI=1S/C19H22N2O/c1-20(2)17-12-8-11-16(19(17)21(3)4)18(22)14-13-15-9-6-5-7-10-15/h5-14H,1-4H3
InChIKeyJDYGMNBJMBRTFA-UHFFFAOYSA-N
XLogP3.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,3-bis(dimethylamino)benzoic acid
CID 19707647
1-[2,3-bis(3-phenylprop-2-enoyl)phenyl]-3-phenylprop-2-en-1-one
CID 142713013
(E)-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
CID 5356057
methyl 2-[(E)-3-phenylprop-2-enoyl]benzoate
CID 10333131
(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one
CID 639832
(E)-1-[2-hydroxy-3-[(Z)-prop-1-enyl]phenyl]-3-phenylprop-2-en-1-one
CID 67659954
2-(dimethylamino)benzene-1,3-dicarboxylic acid
CID 22767033
(E)-1-(2-methylphenyl)-3-[3-[(E)-3-(2-methylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 58692940
(1E,4E)-1,5-bis[4-[2-(dimethylamino)phenyl]phenyl]penta-1,4-dien-3-one
CID 66673920
4-[(E)-3-phenylprop-2-enoyl]naphthalene-1,8-dicarboxylic acid
CID 11359948
1-[2-methyl-3-(trifluoromethyl)phenyl]-3-phenylprop-2-en-1-one
CID 162367173
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis(dimethylamino)phenyl]-3-phenylprop-2-en-1-one?
The IUPAC name of 1-[2,3-bis(dimethylamino)phenyl]-3-phenylprop-2-en-1-one (CID 175290559) is 1-[2,3-bis(dimethylamino)phenyl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for 1-[2,3-bis(dimethylamino)phenyl]-3-phenylprop-2-en-1-one?
The canonical SMILES for 1-[2,3-bis(dimethylamino)phenyl]-3-phenylprop-2-en-1-one is CN(C)c1cccc(C(=O)C=Cc2ccccc2)c1N(C)C.
What is the InChIKey of 1-[2,3-bis(dimethylamino)phenyl]-3-phenylprop-2-en-1-one?
The InChIKey is JDYGMNBJMBRTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-20(2)17-12-8-11-16(19(17)21(3)4)18(22)14-13-15-9-6-5-7-10-15/h5-14H,1-4H3.
What are the key properties of 1-[2,3-bis(dimethylamino)phenyl]-3-phenylprop-2-en-1-one?
1-[2,3-bis(dimethylamino)phenyl]-3-phenylprop-2-en-1-one has a molecular weight of 294.40 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis(dimethylamino)phenyl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 175290559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).