2-(2-ethoxyethoxy)-N-hexylaniline

C16H27NO2 — CID 54801767

IUPAC2-(2-ethoxyethoxy)-N-hexylaniline
SMILESCCCCCCNc1ccccc1OCCOCC
InChIInChI=1S/C16H27NO2/c1-3-5-6-9-12-17-15-10-7-8-11-16(15)19-14-13-18-4-2/h7-8,10-11,17H,3-6,9,12-14H2,1-2H3
InChIKeyVULIWJLUTLEVHK-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.09
Rot. Bonds11

About 2-(2-ethoxyethoxy)-N-hexylaniline

2-(2-ethoxyethoxy)-N-hexylaniline (PubChem CID 54801767) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-N-hexylaniline.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-N-hexylaniline
PubChem CID54801767
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-(2-ethoxyethoxy)-N-hexylaniline
SMILESCCCCCCNc1ccccc1OCCOCC
InChIInChI=1S/C16H27NO2/c1-3-5-6-9-12-17-15-10-7-8-11-16(15)19-14-13-18-4-2/h7-8,10-11,17H,3-6,9,12-14H2,1-2H3
InChIKeyVULIWJLUTLEVHK-UHFFFAOYSA-N
XLogP4.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-nonylaniline
CID 43129179
2-(2-ethoxyethoxy)-N-[(4-heptoxyphenyl)methyl]aniline
CID 54801750
N-[2-(2-chlorophenoxy)ethyl]-2-(2-ethoxyethoxy)aniline
CID 54801723
4-(2-butoxyanilino)butan-1-ol
CID 54803446
N'-(2-ethoxyphenyl)-N-heptylethane-1,2-diamine
CID 54807395
2-ethoxy-N-[4-(2-methylphenoxy)butyl]aniline
CID 82096107
N-(3-ethoxypropyl)-2-methoxyaniline
CID 65176309
2-(2-ethoxyethoxy)-N-[2-(4-ethylphenoxy)ethyl]aniline
CID 54801716
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
N'-(2-butoxyphenyl)-N-(4-hexoxyphenyl)ethane-1,2-diamine
CID 54808512
N'-(2-butoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808133
2-[2-(2-ethoxyethoxy)anilino]-N-(3-heptoxyphenyl)acetamide
CID 54827601

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-N-hexylaniline?
The IUPAC name of 2-(2-ethoxyethoxy)-N-hexylaniline (CID 54801767) is 2-(2-ethoxyethoxy)-N-hexylaniline.
What is the SMILES notation for 2-(2-ethoxyethoxy)-N-hexylaniline?
The canonical SMILES for 2-(2-ethoxyethoxy)-N-hexylaniline is CCCCCCNc1ccccc1OCCOCC.
What is the InChIKey of 2-(2-ethoxyethoxy)-N-hexylaniline?
The InChIKey is VULIWJLUTLEVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-5-6-9-12-17-15-10-7-8-11-16(15)19-14-13-18-4-2/h7-8,10-11,17H,3-6,9,12-14H2,1-2H3.
What are the key properties of 2-(2-ethoxyethoxy)-N-hexylaniline?
2-(2-ethoxyethoxy)-N-hexylaniline has a molecular weight of 265.40 g/mol, XLogP of 4.09, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-N-hexylaniline is sourced from PubChem (CID 54801767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).