1-(4-tert-butyl-2-methylphenyl)-2-(methylamino)ethanone

C14H21NO — CID 82493915

IUPAC1-(4-tert-butyl-2-methylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C14H21NO/c1-10-8-11(14(2,3)4)6-7-12(10)13(16)9-15-5/h6-8,15H,9H2,1-5H3
InChIKeyVYMRUGIFGIYCAC-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.69
Rot. Bonds3

About 1-(4-tert-butyl-2-methylphenyl)-2-(methylamino)ethanone

1-(4-tert-butyl-2-methylphenyl)-2-(methylamino)ethanone (PubChem CID 82493915) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(4-tert-butyl-2-methylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(4-tert-butyl-2-methylphenyl)-2-(methylamino)ethanone
PubChem CID82493915
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(4-tert-butyl-2-methylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C14H21NO/c1-10-8-11(14(2,3)4)6-7-12(10)13(16)9-15-5/h6-8,15H,9H2,1-5H3
InChIKeyVYMRUGIFGIYCAC-UHFFFAOYSA-N
XLogP2.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butyl-2-methylphenyl)-3,3-dimethylbutan-1-one
CID 82498362
1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-2-(methylamino)ethanone
CID 84688474
4-amino-1-(4-tert-butyl-2-methylphenyl)-4-methylpentan-1-one
CID 116916617
1-[2-hydroxy-4-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 84696388
1-(4-tert-butyl-2-methylphenyl)ethanone;methane
CID 161237791
1,3-bis[2-methyl-4-(trifluoromethyl)phenyl]propane-1,3-dione
CID 57301024
3-(methylamino)-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-one
CID 102756704
4-tert-butyl-2-methylbenzenecarboperoxoic acid
CID 54175949
1-(2-hydroxy-4,5-dimethylphenyl)-2-(methylamino)ethanone
CID 82605179
N-[(4-tert-butyl-2-methylphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151986
4-tert-butyl-N-(cyanomethyl)-2-methylbenzamide
CID 82474476
2-(butan-2-ylamino)-1-(5-tert-butyl-2-methylphenyl)ethanone
CID 112510754

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2-methylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(4-tert-butyl-2-methylphenyl)-2-(methylamino)ethanone (CID 82493915) is 1-(4-tert-butyl-2-methylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(4-tert-butyl-2-methylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(4-tert-butyl-2-methylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1ccc(C(C)(C)C)cc1C.
What is the InChIKey of 1-(4-tert-butyl-2-methylphenyl)-2-(methylamino)ethanone?
The InChIKey is VYMRUGIFGIYCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-8-11(14(2,3)4)6-7-12(10)13(16)9-15-5/h6-8,15H,9H2,1-5H3.
What are the key properties of 1-(4-tert-butyl-2-methylphenyl)-2-(methylamino)ethanone?
1-(4-tert-butyl-2-methylphenyl)-2-(methylamino)ethanone has a molecular weight of 219.33 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2-methylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 82493915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).