5-[2-[butyl(methyl)amino]ethyl]-2-ethoxyaniline

C15H26N2O — CID 82256202

IUPAC5-[2-[butyl(methyl)amino]ethyl]-2-ethoxyaniline
SMILESCCCCN(C)CCc1ccc(OCC)c(N)c1
InChIInChI=1S/C15H26N2O/c1-4-6-10-17(3)11-9-13-7-8-15(18-5-2)14(16)12-13/h7-8,12H,4-6,9-11,16H2,1-3H3
InChIKeyIZOZLXMANBGPAF-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.94
Rot. Bonds8

About 5-[2-[butyl(methyl)amino]ethyl]-2-ethoxyaniline

5-[2-[butyl(methyl)amino]ethyl]-2-ethoxyaniline (PubChem CID 82256202) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 5-[2-[butyl(methyl)amino]ethyl]-2-ethoxyaniline.

Molecular Properties

Compound Name5-[2-[butyl(methyl)amino]ethyl]-2-ethoxyaniline
PubChem CID82256202
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name5-[2-[butyl(methyl)amino]ethyl]-2-ethoxyaniline
SMILESCCCCN(C)CCc1ccc(OCC)c(N)c1
InChIInChI=1S/C15H26N2O/c1-4-6-10-17(3)11-9-13-7-8-15(18-5-2)14(16)12-13/h7-8,12H,4-6,9-11,16H2,1-3H3
InChIKeyIZOZLXMANBGPAF-UHFFFAOYSA-N
XLogP2.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[2-[butyl(methyl)amino]ethyl]-2-ethoxyaniline 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

5-[2-[butyl(ethyl)amino]ethyl]-2-ethoxyaniline
CID 82256179
5-[2-[butyl(ethyl)amino]propyl]-2-ethoxyaniline
CID 82256134
N'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 115195519
N-[2-(4-ethoxyphenyl)ethyl]-N-methylpentan-1-amine
CID 173290456
2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 82071130
2-methoxy-5-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]aniline
CID 82256061
2-(4-ethoxy-3-methylphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115259024
5-[2-(tert-butylamino)ethyl]-2-ethoxyaniline
CID 82257558
3-(3-amino-4-methoxyphenyl)-N,N-dibutylpropanamide
CID 82071433
2-[3-(3-amino-4-ethoxyphenyl)propylamino]ethanol
CID 82153190
4-[2-[hexyl(methyl)amino]ethyl]aniline
CID 89126369
3-[3-amino-4-(2-methylpropoxy)phenyl]-N-butyl-N-ethylpropanamide
CID 94759931

Frequently Asked Questions

What is the IUPAC name of 5-[2-[butyl(methyl)amino]ethyl]-2-ethoxyaniline?
The IUPAC name of 5-[2-[butyl(methyl)amino]ethyl]-2-ethoxyaniline (CID 82256202) is 5-[2-[butyl(methyl)amino]ethyl]-2-ethoxyaniline.
What is the SMILES notation for 5-[2-[butyl(methyl)amino]ethyl]-2-ethoxyaniline?
The canonical SMILES for 5-[2-[butyl(methyl)amino]ethyl]-2-ethoxyaniline is CCCCN(C)CCc1ccc(OCC)c(N)c1.
What is the InChIKey of 5-[2-[butyl(methyl)amino]ethyl]-2-ethoxyaniline?
The InChIKey is IZOZLXMANBGPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-6-10-17(3)11-9-13-7-8-15(18-5-2)14(16)12-13/h7-8,12H,4-6,9-11,16H2,1-3H3.
What are the key properties of 5-[2-[butyl(methyl)amino]ethyl]-2-ethoxyaniline?
5-[2-[butyl(methyl)amino]ethyl]-2-ethoxyaniline has a molecular weight of 250.39 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[butyl(methyl)amino]ethyl]-2-ethoxyaniline is sourced from PubChem (CID 82256202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).