1-(2-methylphenyl)-2-[methyl(propan-2-yl)amino]ethanone

C13H19NO — CID 43794597

IUPAC1-(2-methylphenyl)-2-[methyl(propan-2-yl)amino]ethanone
SMILESCc1ccccc1C(=O)CN(C)C(C)C
InChIInChI=1S/C13H19NO/c1-10(2)14(4)9-13(15)12-8-6-5-7-11(12)3/h5-8,10H,9H2,1-4H3
InChIKeyMERIIWAIUYFPHI-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.52
Rot. Bonds4

About 1-(2-methylphenyl)-2-[methyl(propan-2-yl)amino]ethanone

1-(2-methylphenyl)-2-[methyl(propan-2-yl)amino]ethanone (PubChem CID 43794597) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(2-methylphenyl)-2-[methyl(propan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(2-methylphenyl)-2-[methyl(propan-2-yl)amino]ethanone
PubChem CID43794597
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(2-methylphenyl)-2-[methyl(propan-2-yl)amino]ethanone
SMILESCc1ccccc1C(=O)CN(C)C(C)C
InChIInChI=1S/C13H19NO/c1-10(2)14(4)9-13(15)12-8-6-5-7-11(12)3/h5-8,10H,9H2,1-4H3
InChIKeyMERIIWAIUYFPHI-UHFFFAOYSA-N
XLogP2.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43219744
2-[1-(2-chlorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanone
CID 62980408
2-(dimethylamino)-1-(2-methylphenyl)ethanone;hydrochloride
CID 178200159
2-[ethyl(propan-2-yl)amino]-1-(2-methylphenyl)ethanone
CID 43795126
2-[methyl(propan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 43219755
2-[methyl-[2-(2-methylphenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 62035982
2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methylphenyl)ethanone
CID 103189902
3-[methyl-[2-(2-methylphenyl)-2-oxoethyl]amino]propanenitrile
CID 62052130
1-(1-benzofuran-3-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43794594
2-[[2-(2-methylphenyl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide
CID 62035855
3-methyl-1-(2-methylphenyl)pentan-1-one
CID 62620781
5-methyl-1-(2-methylphenyl)hexane-1,4-dione
CID 58283906

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-2-[methyl(propan-2-yl)amino]ethanone?
The IUPAC name of 1-(2-methylphenyl)-2-[methyl(propan-2-yl)amino]ethanone (CID 43794597) is 1-(2-methylphenyl)-2-[methyl(propan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(2-methylphenyl)-2-[methyl(propan-2-yl)amino]ethanone?
The canonical SMILES for 1-(2-methylphenyl)-2-[methyl(propan-2-yl)amino]ethanone is Cc1ccccc1C(=O)CN(C)C(C)C.
What is the InChIKey of 1-(2-methylphenyl)-2-[methyl(propan-2-yl)amino]ethanone?
The InChIKey is MERIIWAIUYFPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(2)14(4)9-13(15)12-8-6-5-7-11(12)3/h5-8,10H,9H2,1-4H3.
What are the key properties of 1-(2-methylphenyl)-2-[methyl(propan-2-yl)amino]ethanone?
1-(2-methylphenyl)-2-[methyl(propan-2-yl)amino]ethanone has a molecular weight of 205.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-2-[methyl(propan-2-yl)amino]ethanone is sourced from PubChem (CID 43794597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).