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

C15H17NO3 — CID 6502498

IUPAC3-[2-(4-methoxyphenoxy)ethoxy]aniline
SMILESCOc1ccc(OCCOc2cccc(N)c2)cc1
InChIInChI=1S/C15H17NO3/c1-17-13-5-7-14(8-6-13)18-9-10-19-15-4-2-3-12(16)11-15/h2-8,11H,9-10,16H2,1H3
InChIKeySIULEHIUHYCCMJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.74
Rot. Bonds6

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

3-[2-(4-methoxyphenoxy)ethoxy]aniline (PubChem CID 6502498) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenoxy)ethoxy]aniline.

Molecular Properties

Compound Name3-[2-(4-methoxyphenoxy)ethoxy]aniline
PubChem CID6502498
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name3-[2-(4-methoxyphenoxy)ethoxy]aniline
SMILESCOc1ccc(OCCOc2cccc(N)c2)cc1
InChIInChI=1S/C15H17NO3/c1-17-13-5-7-14(8-6-13)18-9-10-19-15-4-2-3-12(16)11-15/h2-8,11H,9-10,16H2,1H3
InChIKeySIULEHIUHYCCMJ-UHFFFAOYSA-N
XLogP2.74
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-methoxy-4-[2-(3-methylphenoxy)ethoxy]benzene
CID 14047829
[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20989430
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
3-methoxyaniline;sulfane
CID 174447811
3-[2-(3-tert-butylphenoxy)ethoxy]aniline
CID 39386100
3-[2-(4-bromo-3-methylphenoxy)ethoxy]aniline
CID 83133247
3-[2-(4-pyrrol-1-ylphenoxy)ethoxy]aniline
CID 122177721
3-[2-(4-methoxyphenoxy)ethoxy]benzonitrile
CID 22686799
3-bromo-5-[2-(4-methoxyphenoxy)ethoxy]aniline
CID 103588250
3-[2-(4-methoxyphenoxy)ethoxy]benzenecarbothioamide
CID 20985322
3-[3-(4-propylphenoxy)propoxy]aniline
CID 62548550
1-methoxy-4-[4-(3-methylphenoxy)butoxy]benzene
CID 2251707

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenoxy)ethoxy]aniline?
The IUPAC name of 3-[2-(4-methoxyphenoxy)ethoxy]aniline (CID 6502498) is 3-[2-(4-methoxyphenoxy)ethoxy]aniline.
What is the SMILES notation for 3-[2-(4-methoxyphenoxy)ethoxy]aniline?
The canonical SMILES for 3-[2-(4-methoxyphenoxy)ethoxy]aniline is COc1ccc(OCCOc2cccc(N)c2)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenoxy)ethoxy]aniline?
The InChIKey is SIULEHIUHYCCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-17-13-5-7-14(8-6-13)18-9-10-19-15-4-2-3-12(16)11-15/h2-8,11H,9-10,16H2,1H3.
What are the key properties of 3-[2-(4-methoxyphenoxy)ethoxy]aniline?
3-[2-(4-methoxyphenoxy)ethoxy]aniline has a molecular weight of 259.31 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenoxy)ethoxy]aniline is sourced from PubChem (CID 6502498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).