3-(3,4-dimethylphenyl)imino-1-(4-methylphenyl)propan-1-one

C18H19NO — CID 4127588

IUPAC3-(3,4-dimethylphenyl)imino-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C/C=N/c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H19NO/c1-13-4-7-16(8-5-13)18(20)10-11-19-17-9-6-14(2)15(3)12-17/h4-9,11-12H,10H2,1-3H3/b19-11+
InChIKeyKIILKFXAHOKTAA-YBFXNURJSA-N
MW265.36 g/mol
LogP4.59
Rot. Bonds4

About 3-(3,4-dimethylphenyl)imino-1-(4-methylphenyl)propan-1-one

3-(3,4-dimethylphenyl)imino-1-(4-methylphenyl)propan-1-one (PubChem CID 4127588) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)imino-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)imino-1-(4-methylphenyl)propan-1-one
PubChem CID4127588
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name3-(3,4-dimethylphenyl)imino-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C/C=N/c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H19NO/c1-13-4-7-16(8-5-13)18(20)10-11-19-17-9-6-14(2)15(3)12-17/h4-9,11-12H,10H2,1-3H3/b19-11+
InChIKeyKIILKFXAHOKTAA-YBFXNURJSA-N
XLogP4.59
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)-3-(3-methylphenyl)iminopropan-1-one
CID 4131662
3-(3,4-dimethylphenyl)imino-1-thiophen-2-ylpropan-1-one
CID 91896845
3-(2,4-dimethoxyphenyl)imino-1-(4-methylphenyl)propan-1-one
CID 7208289
1-(4-bromophenyl)-3-(2,4-dimethylphenyl)iminopropan-1-one
CID 4558822
(3E)-1-(4-methylphenyl)-3-pyridin-2-yliminopropan-1-one
CID 91896388
1-(4-chlorophenyl)-3-(4-hydroxyphenyl)iminopropan-1-one
CID 3564747
(3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene
CID 159278284
2-(3,4-dimethylanilino)-1-(4-methylphenyl)ethanone
CID 82119902
3-(3,4-dimethylanilino)-1-(4-methylphenyl)but-3-en-1-one
CID 2290990
1-(3,4-dimethylphenyl)-3-(4-methylanilino)propan-1-one
CID 94278599
1-(4-bromophenyl)-3-[4-(2-(18F)fluoroethoxy)phenyl]iminopropan-1-one
CID 123817992
1-(3,4-dimethylphenyl)-2-sulfanylethanone
CID 82125292

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)imino-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 3-(3,4-dimethylphenyl)imino-1-(4-methylphenyl)propan-1-one (CID 4127588) is 3-(3,4-dimethylphenyl)imino-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-(3,4-dimethylphenyl)imino-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 3-(3,4-dimethylphenyl)imino-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)C/C=N/c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 3-(3,4-dimethylphenyl)imino-1-(4-methylphenyl)propan-1-one?
The InChIKey is KIILKFXAHOKTAA-YBFXNURJSA-N. The full InChI is InChI=1S/C18H19NO/c1-13-4-7-16(8-5-13)18(20)10-11-19-17-9-6-14(2)15(3)12-17/h4-9,11-12H,10H2,1-3H3/b19-11+.
What are the key properties of 3-(3,4-dimethylphenyl)imino-1-(4-methylphenyl)propan-1-one?
3-(3,4-dimethylphenyl)imino-1-(4-methylphenyl)propan-1-one has a molecular weight of 265.36 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)imino-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 4127588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).