1-[2-amino-4-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]ethanone

C18H23N3O — CID 70364139

IUPAC1-[2-amino-4-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]ethanone
SMILESCN(C)c1ccc(CC(=O)c2ccc(N(C)C)cc2N)cc1
InChIInChI=1S/C18H23N3O/c1-20(2)14-7-5-13(6-8-14)11-18(22)16-10-9-15(21(3)4)12-17(16)19/h5-10,12H,11,19H2,1-4H3
InChIKeyWWGFDUJJNONVEK-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.83
Rot. Bonds5

About 1-[2-amino-4-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]ethanone

1-[2-amino-4-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]ethanone (PubChem CID 70364139) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[2-amino-4-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]ethanone
PubChem CID70364139
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-[2-amino-4-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]ethanone
SMILESCN(C)c1ccc(CC(=O)c2ccc(N(C)C)cc2N)cc1
InChIInChI=1S/C18H23N3O/c1-20(2)14-7-5-13(6-8-14)11-18(22)16-10-9-15(21(3)4)12-17(16)19/h5-10,12H,11,19H2,1-4H3
InChIKeyWWGFDUJJNONVEK-UHFFFAOYSA-N
XLogP2.83
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]ethanone (CID 70364139) is 1-[2-amino-4-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]ethanone is CN(C)c1ccc(CC(=O)c2ccc(N(C)C)cc2N)cc1.
What is the InChIKey of 1-[2-amino-4-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]ethanone?
The InChIKey is WWGFDUJJNONVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-20(2)14-7-5-13(6-8-14)11-18(22)16-10-9-15(21(3)4)12-17(16)19/h5-10,12H,11,19H2,1-4H3.
What are the key properties of 1-[2-amino-4-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]ethanone?
1-[2-amino-4-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]ethanone has a molecular weight of 297.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]ethanone is sourced from PubChem (CID 70364139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).