4-[2-(2-ethylhexoxy)ethoxy]aniline

C16H27NO2 — CID 43366167

IUPAC4-[2-(2-ethylhexoxy)ethoxy]aniline
SMILESCCCCC(CC)COCCOc1ccc(N)cc1
InChIInChI=1S/C16H27NO2/c1-3-5-6-14(4-2)13-18-11-12-19-16-9-7-15(17)8-10-16/h7-10,14H,3-6,11-13,17H2,1-2H3
InChIKeyIOMDIBSJNGJYKG-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.88
Rot. Bonds10

About 4-[2-(2-ethylhexoxy)ethoxy]aniline

4-[2-(2-ethylhexoxy)ethoxy]aniline (PubChem CID 43366167) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-[2-(2-ethylhexoxy)ethoxy]aniline.

Molecular Properties

Compound Name4-[2-(2-ethylhexoxy)ethoxy]aniline
PubChem CID43366167
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name4-[2-(2-ethylhexoxy)ethoxy]aniline
SMILESCCCCC(CC)COCCOc1ccc(N)cc1
InChIInChI=1S/C16H27NO2/c1-3-5-6-14(4-2)13-18-11-12-19-16-9-7-15(17)8-10-16/h7-10,14H,3-6,11-13,17H2,1-2H3
InChIKeyIOMDIBSJNGJYKG-UHFFFAOYSA-N
XLogP3.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]benzenesulfonic acid
CID 90129308
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
4-(2-pentoxyethoxy)aniline
CID 43274923
4-(2-heptoxyethoxy)aniline
CID 43366149
N-(4-aminophenyl)-3-(2-ethylhexoxy)propanamide
CID 43127152
4-(2-ethoxyethoxy)aniline
CID 16641299
[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950
4-(2-ethylhexoxy)benzenediazonium
CID 101390113
1-(2-ethylhexoxy)-4-[4-[4-[4-(2-ethylhexoxy)phenyl]butylperoxy]butyl]benzene
CID 175496106
1-N-[3-(2-ethylhexoxy)propyl]-2-methylbenzene-1,4-diamine
CID 58596128
4-[2-(3-methylbutoxy)ethoxy]aniline
CID 43366007
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethylhexoxy)ethoxy]aniline?
The IUPAC name of 4-[2-(2-ethylhexoxy)ethoxy]aniline (CID 43366167) is 4-[2-(2-ethylhexoxy)ethoxy]aniline.
What is the SMILES notation for 4-[2-(2-ethylhexoxy)ethoxy]aniline?
The canonical SMILES for 4-[2-(2-ethylhexoxy)ethoxy]aniline is CCCCC(CC)COCCOc1ccc(N)cc1.
What is the InChIKey of 4-[2-(2-ethylhexoxy)ethoxy]aniline?
The InChIKey is IOMDIBSJNGJYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-5-6-14(4-2)13-18-11-12-19-16-9-7-15(17)8-10-16/h7-10,14H,3-6,11-13,17H2,1-2H3.
What are the key properties of 4-[2-(2-ethylhexoxy)ethoxy]aniline?
4-[2-(2-ethylhexoxy)ethoxy]aniline has a molecular weight of 265.40 g/mol, XLogP of 3.88, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethylhexoxy)ethoxy]aniline is sourced from PubChem (CID 43366167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).