4-[4-[2-ethoxyethyl(ethyl)amino]butan-2-yl]aniline

C16H28N2O — CID 104501682

IUPAC4-[4-[2-ethoxyethyl(ethyl)amino]butan-2-yl]aniline
SMILESCCOCCN(CC)CCC(C)c1ccc(N)cc1
InChIInChI=1S/C16H28N2O/c1-4-18(12-13-19-5-2)11-10-14(3)15-6-8-16(17)9-7-15/h6-9,14H,4-5,10-13,17H2,1-3H3
InChIKeyZNXFAFWNQHPZPH-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.12
Rot. Bonds9

About 4-[4-[2-ethoxyethyl(ethyl)amino]butan-2-yl]aniline

4-[4-[2-ethoxyethyl(ethyl)amino]butan-2-yl]aniline (PubChem CID 104501682) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 4-[4-[2-ethoxyethyl(ethyl)amino]butan-2-yl]aniline.

Molecular Properties

Compound Name4-[4-[2-ethoxyethyl(ethyl)amino]butan-2-yl]aniline
PubChem CID104501682
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name4-[4-[2-ethoxyethyl(ethyl)amino]butan-2-yl]aniline
SMILESCCOCCN(CC)CCC(C)c1ccc(N)cc1
InChIInChI=1S/C16H28N2O/c1-4-18(12-13-19-5-2)11-10-14(3)15-6-8-16(17)9-7-15/h6-9,14H,4-5,10-13,17H2,1-3H3
InChIKeyZNXFAFWNQHPZPH-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(diethylamino)butan-2-yl]aniline
CID 104501389
4-[4-[butyl(ethyl)amino]butan-2-yl]aniline
CID 113419964
N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 63692117
4-[1-[ethyl(propyl)amino]propan-2-yl]aniline
CID 57120163
1-(4-chlorophenyl)-N'-(2-ethoxyethyl)-N,N'-diethylpropane-1,3-diamine
CID 63690707
4-[4-[methyl(pentan-3-yl)amino]butan-2-yl]aniline
CID 104501462
4-[4-(diethylamino)butan-2-yloxy]aniline
CID 82037005
N-[3-(4-aminophenyl)butyl]-N-ethyl-4-methylaniline
CID 104501623
N-[3-(4-aminophenyl)butyl]-N-ethylformamide;2-methoxy-2-methylpropane
CID 177197546
1-(3-chlorophenyl)-N'-(2-ethoxyethyl)-N'-ethylpropane-1,3-diamine
CID 63691060
4-[4-[methyl(4-methylpentan-2-yl)amino]butan-2-yl]aniline
CID 104501576
3,3-diethoxy-N-(2-ethoxyethyl)-N-ethylpropan-1-amine
CID 63698274

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-ethoxyethyl(ethyl)amino]butan-2-yl]aniline?
The IUPAC name of 4-[4-[2-ethoxyethyl(ethyl)amino]butan-2-yl]aniline (CID 104501682) is 4-[4-[2-ethoxyethyl(ethyl)amino]butan-2-yl]aniline.
What is the SMILES notation for 4-[4-[2-ethoxyethyl(ethyl)amino]butan-2-yl]aniline?
The canonical SMILES for 4-[4-[2-ethoxyethyl(ethyl)amino]butan-2-yl]aniline is CCOCCN(CC)CCC(C)c1ccc(N)cc1.
What is the InChIKey of 4-[4-[2-ethoxyethyl(ethyl)amino]butan-2-yl]aniline?
The InChIKey is ZNXFAFWNQHPZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-18(12-13-19-5-2)11-10-14(3)15-6-8-16(17)9-7-15/h6-9,14H,4-5,10-13,17H2,1-3H3.
What are the key properties of 4-[4-[2-ethoxyethyl(ethyl)amino]butan-2-yl]aniline?
4-[4-[2-ethoxyethyl(ethyl)amino]butan-2-yl]aniline has a molecular weight of 264.41 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-ethoxyethyl(ethyl)amino]butan-2-yl]aniline is sourced from PubChem (CID 104501682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).