3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride

C22H22ClNO — CID 2933530

IUPAC3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride
SMILESCc1ccc(NC(CC(=O)c2ccccc2)c2ccccc2)cc1.Cl
InChIInChI=1S/C22H21NO.ClH/c1-17-12-14-20(15-13-17)23-21(18-8-4-2-5-9-18)16-22(24)19-10-6-3-7-11-19;/h2-15,21,23H,16H2,1H3;1H
InChIKeyWKDFPHFSXSMJGF-UHFFFAOYSA-N
MW351.88 g/mol
LogP5.84
Rot. Bonds6

About 3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride

3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride (PubChem CID 2933530) has the molecular formula C22H22ClNO and a molecular weight of 351.88 g/mol. Its IUPAC name is 3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride
PubChem CID2933530
Molecular FormulaC22H22ClNO
Molecular Weight351.88 g/mol
Exact Mass351.14
IUPAC Name3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride
SMILESCc1ccc(NC(CC(=O)c2ccccc2)c2ccccc2)cc1.Cl
InChIInChI=1S/C22H21NO.ClH/c1-17-12-14-20(15-13-17)23-21(18-8-4-2-5-9-18)16-22(24)19-10-6-3-7-11-19;/h2-15,21,23H,16H2,1H3;1H
InChIKeyWKDFPHFSXSMJGF-UHFFFAOYSA-N
XLogP5.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.88
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(4-fluorophenyl)-3-(4-methylanilino)-1-phenylpropan-1-one
CID 766742
3-(4-fluoroanilino)-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 132592034
(3R)-3-(4-fluoroanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 971422
(3R)-1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-one
CID 51695922
3-(4-methylanilino)-1,3-bis(4-methylphenyl)propan-1-one
CID 132593466
1,3-diphenyl-3-(4-propan-2-ylanilino)propan-1-one
CID 154717560
3-(4-ethoxyphenyl)-3-(4-methylanilino)-1-phenylpropan-1-one
CID 132592048
(3R)-3-(3-methylanilino)-1,3-diphenylpropan-1-one
CID 122397451
3-(4-bromoanilino)-1-(4-bromophenyl)-3-phenylpropan-1-one
CID 15731336
3-(3-bromoanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 17384404
(3R)-3-(3-bromoanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 92512541
3-(3-bromophenyl)-3-(4-methylanilino)-1-(4-methylphenyl)propan-1-one
CID 17370256

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride?
The IUPAC name of 3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride (CID 2933530) is 3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride?
The canonical SMILES for 3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride is Cc1ccc(NC(CC(=O)c2ccccc2)c2ccccc2)cc1.Cl.
What is the InChIKey of 3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride?
The InChIKey is WKDFPHFSXSMJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO.ClH/c1-17-12-14-20(15-13-17)23-21(18-8-4-2-5-9-18)16-22(24)19-10-6-3-7-11-19;/h2-15,21,23H,16H2,1H3;1H.
What are the key properties of 3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride?
3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride is sourced from PubChem (CID 2933530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).