1-(3-aminophenyl)-2-[butyl(ethyl)amino]ethanone

C14H22N2O — CID 82071639

IUPAC1-(3-aminophenyl)-2-[butyl(ethyl)amino]ethanone
SMILESCCCCN(CC)CC(=O)c1cccc(N)c1
InChIInChI=1S/C14H22N2O/c1-3-5-9-16(4-2)11-14(17)12-7-6-8-13(15)10-12/h6-8,10H,3-5,9,11,15H2,1-2H3
InChIKeyVQBMYTXDKDSGMD-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.57
Rot. Bonds7

About 1-(3-aminophenyl)-2-[butyl(ethyl)amino]ethanone

1-(3-aminophenyl)-2-[butyl(ethyl)amino]ethanone (PubChem CID 82071639) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-[butyl(ethyl)amino]ethanone.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-[butyl(ethyl)amino]ethanone
PubChem CID82071639
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(3-aminophenyl)-2-[butyl(ethyl)amino]ethanone
SMILESCCCCN(CC)CC(=O)c1cccc(N)c1
InChIInChI=1S/C14H22N2O/c1-3-5-9-16(4-2)11-14(17)12-7-6-8-13(15)10-12/h6-8,10H,3-5,9,11,15H2,1-2H3
InChIKeyVQBMYTXDKDSGMD-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'}

Analyze 1-(3-aminophenyl)-2-[butyl(ethyl)amino]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-aminophenyl)-2-[butyl(ethyl)amino]ethanone
CID 82256582
2-[butyl(ethyl)amino]-1-(3-nitrophenyl)ethanone
CID 43219886
1-(3-aminophenyl)-2-[3-(diethylamino)propylamino]ethanone
CID 82258278
1-(3-aminophenyl)undecan-1-one
CID 116548557
1-(3-aminophenyl)decan-1-one
CID 116548502
3-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide
CID 54906297
2-[butyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone
CID 62052086
2-[ethyl(propyl)amino]-1-phenylethanone
CID 43795306
1-(3-aminophenyl)propan-1-one;propane
CID 145257024
3-amino-N,N-didecylbenzamide
CID 19389018
N-(3-aminophenyl)-2-(dibutylamino)acetamide
CID 28982406
tetradecyl 3-aminobenzoate
CID 139931873

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-[butyl(ethyl)amino]ethanone?
The IUPAC name of 1-(3-aminophenyl)-2-[butyl(ethyl)amino]ethanone (CID 82071639) is 1-(3-aminophenyl)-2-[butyl(ethyl)amino]ethanone.
What is the SMILES notation for 1-(3-aminophenyl)-2-[butyl(ethyl)amino]ethanone?
The canonical SMILES for 1-(3-aminophenyl)-2-[butyl(ethyl)amino]ethanone is CCCCN(CC)CC(=O)c1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-[butyl(ethyl)amino]ethanone?
The InChIKey is VQBMYTXDKDSGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-5-9-16(4-2)11-14(17)12-7-6-8-13(15)10-12/h6-8,10H,3-5,9,11,15H2,1-2H3.
What are the key properties of 1-(3-aminophenyl)-2-[butyl(ethyl)amino]ethanone?
1-(3-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-(3-aminophenyl)-2-[butyl(ethyl)amino]ethanone is sourced from PubChem (CID 82071639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).