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

C16H28N2O — CID 82256179

IUPAC5-[2-[butyl(ethyl)amino]ethyl]-2-ethoxyaniline
SMILESCCCCN(CC)CCc1ccc(OCC)c(N)c1
InChIInChI=1S/C16H28N2O/c1-4-7-11-18(5-2)12-10-14-8-9-16(19-6-3)15(17)13-14/h8-9,13H,4-7,10-12,17H2,1-3H3
InChIKeyNEUIPJRBRUCBQH-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.33
Rot. Bonds9

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

5-[2-[butyl(ethyl)amino]ethyl]-2-ethoxyaniline (PubChem CID 82256179) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 5-[2-[butyl(ethyl)amino]ethyl]-2-ethoxyaniline.

Molecular Properties

Compound Name5-[2-[butyl(ethyl)amino]ethyl]-2-ethoxyaniline
PubChem CID82256179
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name5-[2-[butyl(ethyl)amino]ethyl]-2-ethoxyaniline
SMILESCCCCN(CC)CCc1ccc(OCC)c(N)c1
InChIInChI=1S/C16H28N2O/c1-4-7-11-18(5-2)12-10-14-8-9-16(19-6-3)15(17)13-14/h8-9,13H,4-7,10-12,17H2,1-3H3
InChIKeyNEUIPJRBRUCBQH-UHFFFAOYSA-N
XLogP3.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.33
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

5-[2-[butyl(methyl)amino]ethyl]-2-ethoxyaniline
CID 82256202
5-[2-[butyl(ethyl)amino]propyl]-2-ethoxyaniline
CID 82256134
3-(3-amino-4-ethoxyphenyl)-N-[2-(diethylamino)ethyl]propanamide
CID 94759066
4-[2-[butyl(ethyl)amino]ethyl]benzene-1,2-diol;hydrochloride
CID 90672367
3-[3-amino-4-(2-methylpropoxy)phenyl]-N-butyl-N-ethylpropanamide
CID 94759931
4-[2-(diethylamino)ethyl]-2-methoxyaniline
CID 89182820
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
2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 82071130
4-[2-(dipropylamino)ethyl]benzene-1,2-diamine
CID 10014310
N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-N',N'-diethylpropane-1,3-diamine
CID 94759867

Frequently Asked Questions

What is the IUPAC name of 5-[2-[butyl(ethyl)amino]ethyl]-2-ethoxyaniline?
The IUPAC name of 5-[2-[butyl(ethyl)amino]ethyl]-2-ethoxyaniline (CID 82256179) is 5-[2-[butyl(ethyl)amino]ethyl]-2-ethoxyaniline.
What is the SMILES notation for 5-[2-[butyl(ethyl)amino]ethyl]-2-ethoxyaniline?
The canonical SMILES for 5-[2-[butyl(ethyl)amino]ethyl]-2-ethoxyaniline is CCCCN(CC)CCc1ccc(OCC)c(N)c1.
What is the InChIKey of 5-[2-[butyl(ethyl)amino]ethyl]-2-ethoxyaniline?
The InChIKey is NEUIPJRBRUCBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-7-11-18(5-2)12-10-14-8-9-16(19-6-3)15(17)13-14/h8-9,13H,4-7,10-12,17H2,1-3H3.
What are the key properties of 5-[2-[butyl(ethyl)amino]ethyl]-2-ethoxyaniline?
5-[2-[butyl(ethyl)amino]ethyl]-2-ethoxyaniline has a molecular weight of 264.41 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[butyl(ethyl)amino]ethyl]-2-ethoxyaniline is sourced from PubChem (CID 82256179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).