4-(2-ethylhexoxy)-2-propan-2-yloxyaniline

C17H29NO2 — CID 83002625

IUPAC4-(2-ethylhexoxy)-2-propan-2-yloxyaniline
SMILESCCCCC(CC)COc1ccc(N)c(OC(C)C)c1
InChIInChI=1S/C17H29NO2/c1-5-7-8-14(6-2)12-19-15-9-10-16(18)17(11-15)20-13(3)4/h9-11,13-14H,5-8,12,18H2,1-4H3
InChIKeyLRKPQDWCIYNULH-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.65
Rot. Bonds9

About 4-(2-ethylhexoxy)-2-propan-2-yloxyaniline

4-(2-ethylhexoxy)-2-propan-2-yloxyaniline (PubChem CID 83002625) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 4-(2-ethylhexoxy)-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name4-(2-ethylhexoxy)-2-propan-2-yloxyaniline
PubChem CID83002625
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name4-(2-ethylhexoxy)-2-propan-2-yloxyaniline
SMILESCCCCC(CC)COc1ccc(N)c(OC(C)C)c1
InChIInChI=1S/C17H29NO2/c1-5-7-8-14(6-2)12-19-15-9-10-16(18)17(11-15)20-13(3)4/h9-11,13-14H,5-8,12,18H2,1-4H3
InChIKeyLRKPQDWCIYNULH-UHFFFAOYSA-N
XLogP4.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.65
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

1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
2-(2-ethylhexoxy)-4-methylaniline
CID 63404064
2,6,9,10-tetrakis(2-ethylhexoxy)anthracene
CID 139930225
2-butoxy-4-(2-methylpropoxy)aniline
CID 155920753
(1S)-1-[3-(2-ethylhexoxy)phenyl]ethanamine
CID 55188858
4-N-octan-4-yl-2-propan-2-yloxybenzene-1,4-diamine
CID 106022537
[2-(2-ethylhexoxy)-4-propoxyphenyl]methanamine
CID 63498813
[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950
4-(2-ethylhexoxy)-2-fluoro-1-methylbenzene
CID 107171247
4-(2-ethylhexoxy)benzenediazonium
CID 101390113
4-N-hexan-2-yl-2-propan-2-yloxybenzene-1,4-diamine
CID 83002251
2-methoxy-4-(2-methylpentoxy)aniline
CID 103282930

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylhexoxy)-2-propan-2-yloxyaniline?
The IUPAC name of 4-(2-ethylhexoxy)-2-propan-2-yloxyaniline (CID 83002625) is 4-(2-ethylhexoxy)-2-propan-2-yloxyaniline.
What is the SMILES notation for 4-(2-ethylhexoxy)-2-propan-2-yloxyaniline?
The canonical SMILES for 4-(2-ethylhexoxy)-2-propan-2-yloxyaniline is CCCCC(CC)COc1ccc(N)c(OC(C)C)c1.
What is the InChIKey of 4-(2-ethylhexoxy)-2-propan-2-yloxyaniline?
The InChIKey is LRKPQDWCIYNULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-7-8-14(6-2)12-19-15-9-10-16(18)17(11-15)20-13(3)4/h9-11,13-14H,5-8,12,18H2,1-4H3.
What are the key properties of 4-(2-ethylhexoxy)-2-propan-2-yloxyaniline?
4-(2-ethylhexoxy)-2-propan-2-yloxyaniline has a molecular weight of 279.42 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylhexoxy)-2-propan-2-yloxyaniline is sourced from PubChem (CID 83002625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).