1-(3,4-dimethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone

C19H23NO — CID 60650744

IUPAC1-(3,4-dimethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
SMILESCc1ccc(C(=O)CN(C)Cc2ccccc2C)cc1C
InChIInChI=1S/C19H23NO/c1-14-9-10-17(11-16(14)3)19(21)13-20(4)12-18-8-6-5-7-15(18)2/h5-11H,12-13H2,1-4H3
InChIKeyZNXPVJFGLGEGMC-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.93
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone

1-(3,4-dimethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone (PubChem CID 60650744) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
PubChem CID60650744
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-(3,4-dimethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
SMILESCc1ccc(C(=O)CN(C)Cc2ccccc2C)cc1C
InChIInChI=1S/C19H23NO/c1-14-9-10-17(11-16(14)3)19(21)13-20(4)12-18-8-6-5-7-15(18)2/h5-11H,12-13H2,1-4H3
InChIKeyZNXPVJFGLGEGMC-UHFFFAOYSA-N
XLogP3.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 60650805
2-[2-(dimethylamino)ethyl-methylamino]-1-(3,4-dimethylphenyl)ethanone
CID 63701272
ethane;2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 142212202
1-(2,4-dichlorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 60650610
2-[benzyl(methyl)amino]-1-(4-fluoro-3-methylphenyl)ethanone
CID 71497148
1-(3,4-dimethylphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79485875
1-(3,4-dimethylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79850026
2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide
CID 47006716
2-[(2-chlorophenyl)methyl-methylamino]-1-(3,4-dihydroxyphenyl)ethanone
CID 60650400
1-(5-bromothiophen-2-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 62036953
1-(2-fluorophenyl)-3-[methyl-[(2-methylphenyl)methyl]amino]propan-2-one
CID 62036369
1-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 60650512

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone (CID 60650744) is 1-(3,4-dimethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone is Cc1ccc(C(=O)CN(C)Cc2ccccc2C)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone?
The InChIKey is ZNXPVJFGLGEGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-9-10-17(11-16(14)3)19(21)13-20(4)12-18-8-6-5-7-15(18)2/h5-11H,12-13H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone?
1-(3,4-dimethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone has a molecular weight of 281.40 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone is sourced from PubChem (CID 60650744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).