2-[4-[4-(diethylamino)anilino]phenyl]-1-phenylethanone;hydrochloride

C24H27ClN2O — CID 46848006

IUPAC2-[4-[4-(diethylamino)anilino]phenyl]-1-phenylethanone;hydrochloride
SMILESCCN(CC)c1ccc(Nc2ccc(CC(=O)c3ccccc3)cc2)cc1.Cl
InChIInChI=1S/C24H26N2O.ClH/c1-3-26(4-2)23-16-14-22(15-17-23)25-21-12-10-19(11-13-21)18-24(27)20-8-6-5-7-9-20;/h5-17,25H,3-4,18H2,1-2H3;1H
InChIKeyACVBBILJICBIFG-UHFFFAOYSA-N
MW394.95 g/mol
LogP6.12
Rot. Bonds8

About 2-[4-[4-(diethylamino)anilino]phenyl]-1-phenylethanone;hydrochloride

2-[4-[4-(diethylamino)anilino]phenyl]-1-phenylethanone;hydrochloride (PubChem CID 46848006) has the molecular formula C24H27ClN2O and a molecular weight of 394.95 g/mol. Its IUPAC name is 2-[4-[4-(diethylamino)anilino]phenyl]-1-phenylethanone;hydrochloride.

Molecular Properties

Compound Name2-[4-[4-(diethylamino)anilino]phenyl]-1-phenylethanone;hydrochloride
PubChem CID46848006
Molecular FormulaC24H27ClN2O
Molecular Weight394.95 g/mol
Exact Mass394.18
IUPAC Name2-[4-[4-(diethylamino)anilino]phenyl]-1-phenylethanone;hydrochloride
SMILESCCN(CC)c1ccc(Nc2ccc(CC(=O)c3ccccc3)cc2)cc1.Cl
InChIInChI=1S/C24H26N2O.ClH/c1-3-26(4-2)23-16-14-22(15-17-23)25-21-12-10-19(11-13-21)18-24(27)20-8-6-5-7-9-20;/h5-17,25H,3-4,18H2,1-2H3;1H
InChIKeyACVBBILJICBIFG-UHFFFAOYSA-N
XLogP6.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.95
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(diethylamino)anilino]phenyl]-1-phenylethanone;hydrochloride?
The IUPAC name of 2-[4-[4-(diethylamino)anilino]phenyl]-1-phenylethanone;hydrochloride (CID 46848006) is 2-[4-[4-(diethylamino)anilino]phenyl]-1-phenylethanone;hydrochloride.
What is the SMILES notation for 2-[4-[4-(diethylamino)anilino]phenyl]-1-phenylethanone;hydrochloride?
The canonical SMILES for 2-[4-[4-(diethylamino)anilino]phenyl]-1-phenylethanone;hydrochloride is CCN(CC)c1ccc(Nc2ccc(CC(=O)c3ccccc3)cc2)cc1.Cl.
What is the InChIKey of 2-[4-[4-(diethylamino)anilino]phenyl]-1-phenylethanone;hydrochloride?
The InChIKey is ACVBBILJICBIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O.ClH/c1-3-26(4-2)23-16-14-22(15-17-23)25-21-12-10-19(11-13-21)18-24(27)20-8-6-5-7-9-20;/h5-17,25H,3-4,18H2,1-2H3;1H.
What are the key properties of 2-[4-[4-(diethylamino)anilino]phenyl]-1-phenylethanone;hydrochloride?
2-[4-[4-(diethylamino)anilino]phenyl]-1-phenylethanone;hydrochloride has a molecular weight of 394.95 g/mol, XLogP of 6.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(diethylamino)anilino]phenyl]-1-phenylethanone;hydrochloride is sourced from PubChem (CID 46848006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).