1-(4-aminophenyl)-2-[butyl(ethyl)amino]ethanone

C14H22N2O — CID 82256582

IUPAC1-(4-aminophenyl)-2-[butyl(ethyl)amino]ethanone
SMILESCCCCN(CC)CC(=O)c1ccc(N)cc1
InChIInChI=1S/C14H22N2O/c1-3-5-10-16(4-2)11-14(17)12-6-8-13(15)9-7-12/h6-9H,3-5,10-11,15H2,1-2H3
InChIKeyLJEVFIFLAWHSBK-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.57
Rot. Bonds7

About 1-(4-aminophenyl)-2-[butyl(ethyl)amino]ethanone

1-(4-aminophenyl)-2-[butyl(ethyl)amino]ethanone (PubChem CID 82256582) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-[butyl(ethyl)amino]ethanone.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-[butyl(ethyl)amino]ethanone
PubChem CID82256582
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(4-aminophenyl)-2-[butyl(ethyl)amino]ethanone
SMILESCCCCN(CC)CC(=O)c1ccc(N)cc1
InChIInChI=1S/C14H22N2O/c1-3-5-10-16(4-2)11-14(17)12-6-8-13(15)9-7-12/h6-9H,3-5,10-11,15H2,1-2H3
InChIKeyLJEVFIFLAWHSBK-UHFFFAOYSA-N
XLogP2.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminophenyl)-2-[butyl(ethyl)amino]ethanone
CID 82071639
2-(dibutylamino)-1-(4-methylphenyl)ethanone
CID 43219615
2-[butyl-[2-(4-ethylphenyl)-2-oxoethyl]amino]acetamide
CID 62052887
2-[3-(dimethylamino)propyl-ethylamino]-1-(4-propan-2-ylphenyl)ethanone
CID 102995078
2-[ethyl(propyl)amino]-1-phenylethanone
CID 43795306
4-(diethylamino)butyl 4-aminobenzoate;hydrochloride
CID 131875080
1-(4-aminophenyl)ethanone;N,N-diethylpropan-1-amine
CID 142186715
4-amino-N-butyl-N-propylbenzamide
CID 127119640
2-[butyl(ethyl)amino]-1-(2-chlorophenyl)ethanone
CID 43219892
1-(4-aminophenyl)-2-(dimethylamino)ethanone;hydrochloride
CID 170896135
2-[butyl(ethyl)amino]-1-(3-nitrophenyl)ethanone
CID 43219886
4-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide;hydrochloride
CID 119733438

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-[butyl(ethyl)amino]ethanone?
The IUPAC name of 1-(4-aminophenyl)-2-[butyl(ethyl)amino]ethanone (CID 82256582) is 1-(4-aminophenyl)-2-[butyl(ethyl)amino]ethanone.
What is the SMILES notation for 1-(4-aminophenyl)-2-[butyl(ethyl)amino]ethanone?
The canonical SMILES for 1-(4-aminophenyl)-2-[butyl(ethyl)amino]ethanone is CCCCN(CC)CC(=O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-[butyl(ethyl)amino]ethanone?
The InChIKey is LJEVFIFLAWHSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-5-10-16(4-2)11-14(17)12-6-8-13(15)9-7-12/h6-9H,3-5,10-11,15H2,1-2H3.
What are the key properties of 1-(4-aminophenyl)-2-[butyl(ethyl)amino]ethanone?
1-(4-aminophenyl)-2-[butyl(ethyl)amino]ethanone has a molecular weight of 234.34 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-[butyl(ethyl)amino]ethanone is sourced from PubChem (CID 82256582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).