4-[2-(3-methylbutoxy)ethoxy]aniline

C13H21NO2 — CID 43366007

IUPAC4-[2-(3-methylbutoxy)ethoxy]aniline
SMILESCC(C)CCOCCOc1ccc(N)cc1
InChIInChI=1S/C13H21NO2/c1-11(2)7-8-15-9-10-16-13-5-3-12(14)4-6-13/h3-6,11H,7-10,14H2,1-2H3
InChIKeyKASYMFNCJZUBND-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.71
Rot. Bonds7

About 4-[2-(3-methylbutoxy)ethoxy]aniline

4-[2-(3-methylbutoxy)ethoxy]aniline (PubChem CID 43366007) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[2-(3-methylbutoxy)ethoxy]aniline.

Molecular Properties

Compound Name4-[2-(3-methylbutoxy)ethoxy]aniline
PubChem CID43366007
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-[2-(3-methylbutoxy)ethoxy]aniline
SMILESCC(C)CCOCCOc1ccc(N)cc1
InChIInChI=1S/C13H21NO2/c1-11(2)7-8-15-9-10-16-13-5-3-12(14)4-6-13/h3-6,11H,7-10,14H2,1-2H3
InChIKeyKASYMFNCJZUBND-UHFFFAOYSA-N
XLogP2.71
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.71
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-(3-methylbutoxy)ethoxy]phenyl]methanamine
CID 43254164
1-iodo-4-[2-(3-methylbutoxy)ethoxy]benzene
CID 63530619
4-(2-ethoxyethoxy)aniline
CID 16641299
4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387
(1R)-1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-1-ol
CID 78934322
4-(2-pentoxyethoxy)aniline
CID 43274923
N-[1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]ethylidene]hydroxylamine
CID 61484376
4-[(E)-2-[4-[2-[2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]aniline
CID 154936794
4-(2-heptoxyethoxy)aniline
CID 43366149
4-[2-(2,2,2-trifluoroethoxy)ethoxy]aniline
CID 43365871
4-[4-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline
CID 145159211
2-methoxy-N-[[4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine
CID 63063741

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methylbutoxy)ethoxy]aniline?
The IUPAC name of 4-[2-(3-methylbutoxy)ethoxy]aniline (CID 43366007) is 4-[2-(3-methylbutoxy)ethoxy]aniline.
What is the SMILES notation for 4-[2-(3-methylbutoxy)ethoxy]aniline?
The canonical SMILES for 4-[2-(3-methylbutoxy)ethoxy]aniline is CC(C)CCOCCOc1ccc(N)cc1.
What is the InChIKey of 4-[2-(3-methylbutoxy)ethoxy]aniline?
The InChIKey is KASYMFNCJZUBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-11(2)7-8-15-9-10-16-13-5-3-12(14)4-6-13/h3-6,11H,7-10,14H2,1-2H3.
What are the key properties of 4-[2-(3-methylbutoxy)ethoxy]aniline?
4-[2-(3-methylbutoxy)ethoxy]aniline has a molecular weight of 223.32 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methylbutoxy)ethoxy]aniline is sourced from PubChem (CID 43366007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).