1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-(methylamino)ethanone

C14H21NO — CID 117313439

IUPAC1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(C(C)C)cc(C)c1C
InChIInChI=1S/C14H21NO/c1-9(2)12-6-10(3)11(4)13(7-12)14(16)8-15-5/h6-7,9,15H,8H2,1-5H3
InChIKeyDKIUEWLQPLLFSV-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.83
Rot. Bonds4

About 1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-(methylamino)ethanone

1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-(methylamino)ethanone (PubChem CID 117313439) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-(methylamino)ethanone
PubChem CID117313439
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(C(C)C)cc(C)c1C
InChIInChI=1S/C14H21NO/c1-9(2)12-6-10(3)11(4)13(7-12)14(16)8-15-5/h6-7,9,15H,8H2,1-5H3
InChIKeyDKIUEWLQPLLFSV-UHFFFAOYSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-5-[2-(methylamino)acetyl]benzonitrile
CID 117291022
1-[5-(difluoromethyl)-2-methylphenyl]-2-(methylamino)ethanone
CID 84679595
1-(2,3-dimethoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone
CID 117381796
1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone
CID 117347105
1-(4,5-dihydroxy-2,3-dimethylphenyl)-2-(methylamino)ethanone
CID 117298446
methyl 5-[1-hydroxy-2-(methylamino)ethyl]-2,3-dimethylbenzoate
CID 117347120
1-(2-hydroxy-4,5-dimethylphenyl)-2-(methylamino)ethanone
CID 82605179
1-(2,3-dimethyl-5-propan-2-ylphenyl)propan-2-one
CID 117292880
2-(2,3-dimethyl-5-propan-2-ylphenyl)-N-methylethanamine
CID 117294246
1-(3-amino-4,5-dimethylphenyl)-2-(methylamino)ethanone
CID 117108284
1-[5-(difluoromethyl)-2-methoxyphenyl]-2-(methylamino)ethanone
CID 117330012
methyl 2,3-dimethyl-5-(4-oxobutan-2-yl)benzoate
CID 117340588

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-(methylamino)ethanone (CID 117313439) is 1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1cc(C(C)C)cc(C)c1C.
What is the InChIKey of 1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-(methylamino)ethanone?
The InChIKey is DKIUEWLQPLLFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-9(2)12-6-10(3)11(4)13(7-12)14(16)8-15-5/h6-7,9,15H,8H2,1-5H3.
What are the key properties of 1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-(methylamino)ethanone?
1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-(methylamino)ethanone has a molecular weight of 219.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 117313439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).