2-(butylamino)-1-(2,4-dimethylphenyl)ethanone

C14H21NO — CID 82101652

IUPAC2-(butylamino)-1-(2,4-dimethylphenyl)ethanone
SMILESCCCCNCC(=O)c1ccc(C)cc1C
InChIInChI=1S/C14H21NO/c1-4-5-8-15-10-14(16)13-7-6-11(2)9-12(13)3/h6-7,9,15H,4-5,8,10H2,1-3H3
InChIKeyMDJYSPHRHKKPIF-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.88
Rot. Bonds6

About 2-(butylamino)-1-(2,4-dimethylphenyl)ethanone

2-(butylamino)-1-(2,4-dimethylphenyl)ethanone (PubChem CID 82101652) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(butylamino)-1-(2,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(butylamino)-1-(2,4-dimethylphenyl)ethanone
PubChem CID82101652
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(butylamino)-1-(2,4-dimethylphenyl)ethanone
SMILESCCCCNCC(=O)c1ccc(C)cc1C
InChIInChI=1S/C14H21NO/c1-4-5-8-15-10-14(16)13-7-6-11(2)9-12(13)3/h6-7,9,15H,4-5,8,10H2,1-3H3
InChIKeyMDJYSPHRHKKPIF-UHFFFAOYSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(diethylamino)propylamino]-1-(2,4-dimethylphenyl)ethanone
CID 82101673
2-(hexylamino)-1-(4-methylphenyl)ethanone
CID 82101213
1-(3-amino-4-methylphenyl)-2-(butylamino)ethanone
CID 98014245
1-(2,4-dimethylphenyl)decane-1,3-dione
CID 43321493
1-(2,4-dimethylphenyl)-2-(4-methylanilino)ethanone
CID 82119914
2-[(4-chlorophenyl)methylamino]-1-(2,4-dimethylphenyl)ethanone
CID 82101686
1-(2,4-dimethylphenyl)butane-1,3-dione
CID 19917258
2-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)ethanone
CID 43219658
2-butylsulfonyl-1-(2,4-dimethylphenyl)ethanone
CID 64638048
2-(butylamino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110653824
1-(2,4-dimethylphenyl)-2-(4-ethylanilino)ethanone
CID 94278555
1-(2,4-dimethylphenyl)-4-hydroxybutan-1-one
CID 82111942

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-1-(2,4-dimethylphenyl)ethanone?
The IUPAC name of 2-(butylamino)-1-(2,4-dimethylphenyl)ethanone (CID 82101652) is 2-(butylamino)-1-(2,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(butylamino)-1-(2,4-dimethylphenyl)ethanone?
The canonical SMILES for 2-(butylamino)-1-(2,4-dimethylphenyl)ethanone is CCCCNCC(=O)c1ccc(C)cc1C.
What is the InChIKey of 2-(butylamino)-1-(2,4-dimethylphenyl)ethanone?
The InChIKey is MDJYSPHRHKKPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-5-8-15-10-14(16)13-7-6-11(2)9-12(13)3/h6-7,9,15H,4-5,8,10H2,1-3H3.
What are the key properties of 2-(butylamino)-1-(2,4-dimethylphenyl)ethanone?
2-(butylamino)-1-(2,4-dimethylphenyl)ethanone has a molecular weight of 219.33 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-1-(2,4-dimethylphenyl)ethanone is sourced from PubChem (CID 82101652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).