3-[1-[ethyl(2-methylbutyl)amino]ethyl]aniline

C15H26N2 — CID 79476910

IUPAC3-[1-[ethyl(2-methylbutyl)amino]ethyl]aniline
SMILESCCC(C)CN(CC)C(C)c1cccc(N)c1
InChIInChI=1S/C15H26N2/c1-5-12(3)11-17(6-2)13(4)14-8-7-9-15(16)10-14/h7-10,12-13H,5-6,11,16H2,1-4H3
InChIKeySAYGZBIEMHCIJW-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.70
Rot. Bonds6

About 3-[1-[ethyl(2-methylbutyl)amino]ethyl]aniline

3-[1-[ethyl(2-methylbutyl)amino]ethyl]aniline (PubChem CID 79476910) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 3-[1-[ethyl(2-methylbutyl)amino]ethyl]aniline.

Molecular Properties

Compound Name3-[1-[ethyl(2-methylbutyl)amino]ethyl]aniline
PubChem CID79476910
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name3-[1-[ethyl(2-methylbutyl)amino]ethyl]aniline
SMILESCCC(C)CN(CC)C(C)c1cccc(N)c1
InChIInChI=1S/C15H26N2/c1-5-12(3)11-17(6-2)13(4)14-8-7-9-15(16)10-14/h7-10,12-13H,5-6,11,16H2,1-4H3
InChIKeySAYGZBIEMHCIJW-UHFFFAOYSA-N
XLogP3.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[methyl(2-methylbutyl)amino]ethyl]aniline
CID 61262568
1-(3-aminophenyl)-2-[methyl(2-methylbutyl)amino]ethanol
CID 62265077
2-[1-(3-aminophenyl)ethyl-propylamino]ethanol
CID 61424975
3-N-ethyl-3-N-(2-methylbutyl)benzene-1,3-diamine
CID 63229637
5-[1-[ethyl(2-methylbutyl)amino]ethyl]benzene-1,3-diol
CID 107708163
1-N-ethyl-1-N-(2-methylbutyl)-1-phenylpropane-1,2-diamine
CID 79476713
3-[1-[2,4-dimethylpentyl(methyl)amino]ethyl]aniline
CID 114200282
1-N-ethyl-1-N-(2-methylbutyl)-1-(3-methylphenyl)propane-1,2-diamine
CID 79477378
2-(3-aminophenyl)-N-ethyl-N-(2-ethylbutyl)propanamide
CID 106590949
1-(3-aminophenyl)-2-(2-methylbutylsulfanyl)ethanol
CID 107748858
N-ethyl-N-(2-methylbutyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 79481720
N-ethyl-N-(2-methylbutyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 79481710

Frequently Asked Questions

What is the IUPAC name of 3-[1-[ethyl(2-methylbutyl)amino]ethyl]aniline?
The IUPAC name of 3-[1-[ethyl(2-methylbutyl)amino]ethyl]aniline (CID 79476910) is 3-[1-[ethyl(2-methylbutyl)amino]ethyl]aniline.
What is the SMILES notation for 3-[1-[ethyl(2-methylbutyl)amino]ethyl]aniline?
The canonical SMILES for 3-[1-[ethyl(2-methylbutyl)amino]ethyl]aniline is CCC(C)CN(CC)C(C)c1cccc(N)c1.
What is the InChIKey of 3-[1-[ethyl(2-methylbutyl)amino]ethyl]aniline?
The InChIKey is SAYGZBIEMHCIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-12(3)11-17(6-2)13(4)14-8-7-9-15(16)10-14/h7-10,12-13H,5-6,11,16H2,1-4H3.
What are the key properties of 3-[1-[ethyl(2-methylbutyl)amino]ethyl]aniline?
3-[1-[ethyl(2-methylbutyl)amino]ethyl]aniline has a molecular weight of 234.39 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[ethyl(2-methylbutyl)amino]ethyl]aniline is sourced from PubChem (CID 79476910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).