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

C17H30N2O — CID 82256134

IUPAC5-[2-[butyl(ethyl)amino]propyl]-2-ethoxyaniline
SMILESCCCCN(CC)C(C)Cc1ccc(OCC)c(N)c1
InChIInChI=1S/C17H30N2O/c1-5-8-11-19(6-2)14(4)12-15-9-10-17(20-7-3)16(18)13-15/h9-10,13-14H,5-8,11-12,18H2,1-4H3
InChIKeyWJNDVEGDHVJAAA-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.72
Rot. Bonds9

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

5-[2-[butyl(ethyl)amino]propyl]-2-ethoxyaniline (PubChem CID 82256134) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 5-[2-[butyl(ethyl)amino]propyl]-2-ethoxyaniline.

Molecular Properties

Compound Name5-[2-[butyl(ethyl)amino]propyl]-2-ethoxyaniline
PubChem CID82256134
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name5-[2-[butyl(ethyl)amino]propyl]-2-ethoxyaniline
SMILESCCCCN(CC)C(C)Cc1ccc(OCC)c(N)c1
InChIInChI=1S/C17H30N2O/c1-5-8-11-19(6-2)14(4)12-15-9-10-17(20-7-3)16(18)13-15/h9-10,13-14H,5-8,11-12,18H2,1-4H3
InChIKeyWJNDVEGDHVJAAA-UHFFFAOYSA-N
XLogP3.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.72
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(ethyl)amino]ethyl]-2-ethoxyaniline
CID 82256179
5-[2-[butyl(methyl)amino]ethyl]-2-ethoxyaniline
CID 82256202
2-[1-(3-amino-4-ethoxyphenyl)propan-2-yl-methylamino]acetic acid
CID 82256147
2-ethoxy-5-[2-(prop-2-enylamino)propyl]aniline
CID 82257510
3-[3-amino-4-(2-methylpropoxy)phenyl]-N-butyl-N-ethylpropanamide
CID 94759931
5-[2-(benzylamino)propyl]-2-ethoxyaniline
CID 82257507
1-(3-ethoxy-4-pentoxyphenyl)propan-2-amine
CID 54929069
1-(3-ethoxy-4-hexoxyphenyl)propan-2-amine
CID 60906663
5-(difluoromethyl)-2-ethoxyaniline
CID 130524156
1-(3-amino-4-ethoxyphenyl)propan-2-one
CID 54371004
3-amino-4-ethoxy-N-ethyl-N-propylbenzamide
CID 61094577
3-(3-amino-4-ethoxyphenyl)-N-[2-(diethylamino)ethyl]propanamide
CID 94759066

Frequently Asked Questions

What is the IUPAC name of 5-[2-[butyl(ethyl)amino]propyl]-2-ethoxyaniline?
The IUPAC name of 5-[2-[butyl(ethyl)amino]propyl]-2-ethoxyaniline (CID 82256134) is 5-[2-[butyl(ethyl)amino]propyl]-2-ethoxyaniline.
What is the SMILES notation for 5-[2-[butyl(ethyl)amino]propyl]-2-ethoxyaniline?
The canonical SMILES for 5-[2-[butyl(ethyl)amino]propyl]-2-ethoxyaniline is CCCCN(CC)C(C)Cc1ccc(OCC)c(N)c1.
What is the InChIKey of 5-[2-[butyl(ethyl)amino]propyl]-2-ethoxyaniline?
The InChIKey is WJNDVEGDHVJAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-8-11-19(6-2)14(4)12-15-9-10-17(20-7-3)16(18)13-15/h9-10,13-14H,5-8,11-12,18H2,1-4H3.
What are the key properties of 5-[2-[butyl(ethyl)amino]propyl]-2-ethoxyaniline?
5-[2-[butyl(ethyl)amino]propyl]-2-ethoxyaniline has a molecular weight of 278.44 g/mol, XLogP of 3.72, 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]propyl]-2-ethoxyaniline is sourced from PubChem (CID 82256134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).