3-(dibenzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride

C24H26ClNO — CID 3064601

IUPAC3-(dibenzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride
SMILESCc1ccc(C(=O)CCN(Cc2ccccc2)Cc2ccccc2)cc1.Cl
InChIInChI=1S/C24H25NO.ClH/c1-20-12-14-23(15-13-20)24(26)16-17-25(18-21-8-4-2-5-9-21)19-22-10-6-3-7-11-22;/h2-15H,16-19H2,1H3;1H
InChIKeyWFHLHZRTVZZGSJ-UHFFFAOYSA-N
MW379.93 g/mol
LogP5.69
Rot. Bonds8

About 3-(dibenzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride

3-(dibenzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride (PubChem CID 3064601) has the molecular formula C24H26ClNO and a molecular weight of 379.93 g/mol. Its IUPAC name is 3-(dibenzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(dibenzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride
PubChem CID3064601
Molecular FormulaC24H26ClNO
Molecular Weight379.93 g/mol
Exact Mass379.17
IUPAC Name3-(dibenzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride
SMILESCc1ccc(C(=O)CCN(Cc2ccccc2)Cc2ccccc2)cc1.Cl
InChIInChI=1S/C24H25NO.ClH/c1-20-12-14-23(15-13-20)24(26)16-17-25(18-21-8-4-2-5-9-21)19-22-10-6-3-7-11-22;/h2-15H,16-19H2,1H3;1H
InChIKeyWFHLHZRTVZZGSJ-UHFFFAOYSA-N
XLogP5.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.93
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[benzyl-(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one
CID 135021147
4-[benzyl(methyl)amino]-1-[4-[4-[benzyl(methyl)amino]butanoyl]phenyl]butan-1-one;dihydrochloride
CID 52997459
3-(N-methylanilino)-1-(4-methylphenyl)propan-1-one
CID 62612961
3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 62612670
3-(diethylamino)-1-phenylpropan-1-one;hydrochloride
CID 13496280
1-benzyl-1-methyl-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874551
azane;3-(dibenzylamino)propanoic acid
CID 162310692
1-(3-amino-4-methylphenyl)-3-[benzyl(2-hydroxyethyl)amino]propan-1-one
CID 94723325
1-benzyl-3-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylurea
CID 108874633
3-[ethyl(2-methylpropyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62611644
3-[ethyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62613649
2-[benzyl(phenacyl)amino]-1-phenylethanone;hydrobromide
CID 14149400

Frequently Asked Questions

What is the IUPAC name of 3-(dibenzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride?
The IUPAC name of 3-(dibenzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride (CID 3064601) is 3-(dibenzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride.
What is the SMILES notation for 3-(dibenzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride?
The canonical SMILES for 3-(dibenzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride is Cc1ccc(C(=O)CCN(Cc2ccccc2)Cc2ccccc2)cc1.Cl.
What is the InChIKey of 3-(dibenzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride?
The InChIKey is WFHLHZRTVZZGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO.ClH/c1-20-12-14-23(15-13-20)24(26)16-17-25(18-21-8-4-2-5-9-21)19-22-10-6-3-7-11-22;/h2-15H,16-19H2,1H3;1H.
What are the key properties of 3-(dibenzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride?
3-(dibenzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 5.69, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibenzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride is sourced from PubChem (CID 3064601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).