5-methoxy-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]aniline

C17H21NO4 — CID 39427298

IUPAC5-methoxy-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]aniline
SMILESCOc1ccc(OCCOc2ccc(C)cc2OC)c(N)c1
InChIInChI=1S/C17H21NO4/c1-12-4-6-16(17(10-12)20-3)22-9-8-21-15-7-5-13(19-2)11-14(15)18/h4-7,10-11H,8-9,18H2,1-3H3
InChIKeyVTNSVXCCTAPDEC-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.05
Rot. Bonds7

About 5-methoxy-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]aniline

5-methoxy-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]aniline (PubChem CID 39427298) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-methoxy-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]aniline.

Molecular Properties

Compound Name5-methoxy-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]aniline
PubChem CID39427298
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name5-methoxy-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]aniline
SMILESCOc1ccc(OCCOc2ccc(C)cc2OC)c(N)c1
InChIInChI=1S/C17H21NO4/c1-12-4-6-16(17(10-12)20-3)22-9-8-21-15-7-5-13(19-2)11-14(15)18/h4-7,10-11H,8-9,18H2,1-3H3
InChIKeyVTNSVXCCTAPDEC-UHFFFAOYSA-N
XLogP3.05
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

5-methoxy-2-[3-(3-methylphenoxy)propoxy]aniline
CID 82097157
5-methoxy-2-[4-(3-methylphenoxy)butoxy]aniline
CID 82097281
5-methoxy-2-nonoxyaniline
CID 43128995
4-(2-amino-4-methoxyphenoxy)butanoic acid
CID 123796019
2-[2-(3,5-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39371047
5-methyl-2-[2-(2,4,5-trimethylphenoxy)ethoxy]aniline
CID 39387000
1-(3-chloropropoxy)-2-methoxy-4-methylbenzene
CID 23036323
2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline
CID 39399728
4-(2-amino-4-methoxyphenoxy)-2-methylbutan-2-ol
CID 79360631
2,5-dimethoxyaniline;molecular hydrogen
CID 159599481
1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
CID 2284068
2-methoxy-4-methyl-1-(2-methylsulfonylethoxy)benzene
CID 58551430

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]aniline?
The IUPAC name of 5-methoxy-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]aniline (CID 39427298) is 5-methoxy-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]aniline.
What is the SMILES notation for 5-methoxy-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]aniline?
The canonical SMILES for 5-methoxy-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]aniline is COc1ccc(OCCOc2ccc(C)cc2OC)c(N)c1.
What is the InChIKey of 5-methoxy-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]aniline?
The InChIKey is VTNSVXCCTAPDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-12-4-6-16(17(10-12)20-3)22-9-8-21-15-7-5-13(19-2)11-14(15)18/h4-7,10-11H,8-9,18H2,1-3H3.
What are the key properties of 5-methoxy-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]aniline?
5-methoxy-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]aniline has a molecular weight of 303.36 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]aniline is sourced from PubChem (CID 39427298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).