1-(3,4-dimethylphenyl)-2-[ethyl(methyl)amino]propan-1-one

C14H21NO — CID 43794892

IUPAC1-(3,4-dimethylphenyl)-2-[ethyl(methyl)amino]propan-1-one
SMILESCCN(C)C(C)C(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H21NO/c1-6-15(5)12(4)14(16)13-8-7-10(2)11(3)9-13/h7-9,12H,6H2,1-5H3
InChIKeyDFRDLOVOEXZFOK-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.83
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-2-[ethyl(methyl)amino]propan-1-one

1-(3,4-dimethylphenyl)-2-[ethyl(methyl)amino]propan-1-one (PubChem CID 43794892) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-[ethyl(methyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-[ethyl(methyl)amino]propan-1-one
PubChem CID43794892
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(3,4-dimethylphenyl)-2-[ethyl(methyl)amino]propan-1-one
SMILESCCN(C)C(C)C(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H21NO/c1-6-15(5)12(4)14(16)13-8-7-10(2)11(3)9-13/h7-9,12H,6H2,1-5H3
InChIKeyDFRDLOVOEXZFOK-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propan-1-one
CID 79390731
1-(3,4-dimethylphenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-1-one
CID 112662142
1-(3,4-difluorophenyl)-2-[ethyl(methyl)amino]propan-1-one
CID 43794901
1-(3,4-dimethylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 62052574
2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(3,4-dimethylphenyl)propan-1-one
CID 63566664
2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 43794816
2-[ethyl(methyl)amino]-1-phenylpropan-1-one
CID 43794825
2-[[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetamide
CID 62035856
2-(3,4-dimethylphenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 43412320
1-(3,4-dimethylphenyl)-2-[ethyl(propan-2-yl)amino]ethanone
CID 43795100
2-[cyclopropyl(3-methylbutyl)amino]-1-(3,4-dimethylphenyl)propan-1-one
CID 78944907
2-[(3,4-dimethylbenzoyl)-methylamino]propanoic acid
CID 62628336

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-[ethyl(methyl)amino]propan-1-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-[ethyl(methyl)amino]propan-1-one (CID 43794892) is 1-(3,4-dimethylphenyl)-2-[ethyl(methyl)amino]propan-1-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-[ethyl(methyl)amino]propan-1-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-[ethyl(methyl)amino]propan-1-one is CCN(C)C(C)C(=O)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-[ethyl(methyl)amino]propan-1-one?
The InChIKey is DFRDLOVOEXZFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-6-15(5)12(4)14(16)13-8-7-10(2)11(3)9-13/h7-9,12H,6H2,1-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-[ethyl(methyl)amino]propan-1-one?
1-(3,4-dimethylphenyl)-2-[ethyl(methyl)amino]propan-1-one has a molecular weight of 219.33 g/mol, XLogP of 2.83, 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-[ethyl(methyl)amino]propan-1-one is sourced from PubChem (CID 43794892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).