1-(benzylideneamino)-3-(2,6-dimethylphenyl)propan-2-one

C18H19NO — CID 157328238

IUPAC1-(benzylideneamino)-3-(2,6-dimethylphenyl)propan-2-one
SMILESCc1cccc(C)c1CC(=O)C/N=C/c1ccccc1
InChIInChI=1S/C18H19NO/c1-14-7-6-8-15(2)18(14)11-17(20)13-19-12-16-9-4-3-5-10-16/h3-10,12H,11,13H2,1-2H3/b19-12+
InChIKeyRUEGEBIUKSJMGA-XDHOZWIPSA-N
MW265.36 g/mol
LogP3.53
Rot. Bonds5

About 1-(benzylideneamino)-3-(2,6-dimethylphenyl)propan-2-one

1-(benzylideneamino)-3-(2,6-dimethylphenyl)propan-2-one (PubChem CID 157328238) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(benzylideneamino)-3-(2,6-dimethylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(benzylideneamino)-3-(2,6-dimethylphenyl)propan-2-one
PubChem CID157328238
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-(benzylideneamino)-3-(2,6-dimethylphenyl)propan-2-one
SMILESCc1cccc(C)c1CC(=O)C/N=C/c1ccccc1
InChIInChI=1S/C18H19NO/c1-14-7-6-8-15(2)18(14)11-17(20)13-19-12-16-9-4-3-5-10-16/h3-10,12H,11,13H2,1-2H3/b19-12+
InChIKeyRUEGEBIUKSJMGA-XDHOZWIPSA-N
XLogP3.53
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(benzylideneamino)-3-(2,6-dimethylphenyl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(benzylideneamino)acetate
CID 132550307
1-(2,6-dimethylphenyl)pent-4-en-2-one
CID 116659518
phosphanyl 2-(benzylideneamino)acetate
CID 88978605
1-(2,6-dimethylphenyl)-3-(methylamino)propan-2-one
CID 116553750
prop-1-en-2-yl 2-(benzylideneamino)acetate
CID 89150054
ethyl 2-[(2-methylphenyl)methylideneamino]acetate
CID 15468535
1-(2,6-dimethylphenyl)-3-[[2-(4-methylphenyl)-1,3-benzothiazol-5-yl]methylideneamino]propane-2-thione
CID 159735954
1-(4-methylphenyl)-N-(2-methylprop-2-enyl)methanimine
CID 15208611
1-(2,6-dimethylphenyl)undecan-2-one
CID 115792441
1-(2,6-dimethylphenyl)-3-propan-2-yloxypropan-2-one
CID 105123546
6-amino-1-(2,6-dimethylphenyl)hexan-2-one
CID 116571966
[2-[2-(benzylideneamino)acetyl]phenyl] acetate
CID 101443233

Frequently Asked Questions

What is the IUPAC name of 1-(benzylideneamino)-3-(2,6-dimethylphenyl)propan-2-one?
The IUPAC name of 1-(benzylideneamino)-3-(2,6-dimethylphenyl)propan-2-one (CID 157328238) is 1-(benzylideneamino)-3-(2,6-dimethylphenyl)propan-2-one.
What is the SMILES notation for 1-(benzylideneamino)-3-(2,6-dimethylphenyl)propan-2-one?
The canonical SMILES for 1-(benzylideneamino)-3-(2,6-dimethylphenyl)propan-2-one is Cc1cccc(C)c1CC(=O)C/N=C/c1ccccc1.
What is the InChIKey of 1-(benzylideneamino)-3-(2,6-dimethylphenyl)propan-2-one?
The InChIKey is RUEGEBIUKSJMGA-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H19NO/c1-14-7-6-8-15(2)18(14)11-17(20)13-19-12-16-9-4-3-5-10-16/h3-10,12H,11,13H2,1-2H3/b19-12+.
What are the key properties of 1-(benzylideneamino)-3-(2,6-dimethylphenyl)propan-2-one?
1-(benzylideneamino)-3-(2,6-dimethylphenyl)propan-2-one has a molecular weight of 265.36 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylideneamino)-3-(2,6-dimethylphenyl)propan-2-one is sourced from PubChem (CID 157328238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).