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

C18H27NO — CID 61445964

IUPAC1-(3,4-dimethylphenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone
SMILESCc1ccc(C(=O)CN(C)C2CCCC(C)C2)cc1C
InChIInChI=1S/C18H27NO/c1-13-6-5-7-17(10-13)19(4)12-18(20)16-9-8-14(2)15(3)11-16/h8-9,11,13,17H,5-7,10,12H2,1-4H3
InChIKeyACFRXUNBJPFIJD-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.00
Rot. Bonds4

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

1-(3,4-dimethylphenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone (PubChem CID 61445964) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone
PubChem CID61445964
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-(3,4-dimethylphenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone
SMILESCc1ccc(C(=O)CN(C)C2CCCC(C)C2)cc1C
InChIInChI=1S/C18H27NO/c1-13-6-5-7-17(10-13)19(4)12-18(20)16-9-8-14(2)15(3)11-16/h8-9,11,13,17H,5-7,10,12H2,1-4H3
InChIKeyACFRXUNBJPFIJD-UHFFFAOYSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl-(3-methylcyclohexyl)amino]-1-phenylethanone
CID 61446014
1-(2,5-dichlorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone
CID 63567177
2-[cyclopentyl(methyl)amino]-1-(4-methylphenyl)ethanone
CID 43795211
4-fluoro-N,3-dimethyl-N-(3-methylcyclohexyl)benzamide
CID 63213240
1-(3-fluorophenyl)-3-[methyl-(3-methylcyclohexyl)amino]propan-1-one
CID 62618349
1-(3,4-dimethylphenyl)-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 93026208
1-(3-amino-4-methylphenyl)-3-[cyclohexyl(methyl)amino]propan-1-one
CID 82136057
2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-dimethylphenyl)ethanone
CID 61451944
2-[cyclopropyl(methyl)amino]-1-(4-methylphenyl)ethanone
CID 43795012
2-[2-(dimethylamino)ethyl-methylamino]-1-(3,4-dimethylphenyl)ethanone
CID 63701272
1-(4-chlorophenyl)-2-[cyclohexyl(methyl)amino]ethanone
CID 43219367
1-(3,4-dimethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
CID 63713632

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone (CID 61445964) is 1-(3,4-dimethylphenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone is Cc1ccc(C(=O)CN(C)C2CCCC(C)C2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone?
The InChIKey is ACFRXUNBJPFIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13-6-5-7-17(10-13)19(4)12-18(20)16-9-8-14(2)15(3)11-16/h8-9,11,13,17H,5-7,10,12H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone?
1-(3,4-dimethylphenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone has a molecular weight of 273.42 g/mol, XLogP of 4.00, 4 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-(3-methylcyclohexyl)amino]ethanone is sourced from PubChem (CID 61445964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).