3-[2-(2-methoxyethoxy)phenyl]-2-methylaniline

C16H19NO2 — CID 107626878

IUPAC3-[2-(2-methoxyethoxy)phenyl]-2-methylaniline
SMILESCOCCOc1ccccc1-c1cccc(N)c1C
InChIInChI=1S/C16H19NO2/c1-12-13(7-5-8-15(12)17)14-6-3-4-9-16(14)19-11-10-18-2/h3-9H,10-11,17H2,1-2H3
InChIKeyGLSGPOPDYSYTAJ-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.27
Rot. Bonds5

About 3-[2-(2-methoxyethoxy)phenyl]-2-methylaniline

3-[2-(2-methoxyethoxy)phenyl]-2-methylaniline (PubChem CID 107626878) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)phenyl]-2-methylaniline.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)phenyl]-2-methylaniline
PubChem CID107626878
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-[2-(2-methoxyethoxy)phenyl]-2-methylaniline
SMILESCOCCOc1ccccc1-c1cccc(N)c1C
InChIInChI=1S/C16H19NO2/c1-12-13(7-5-8-15(12)17)14-6-3-4-9-16(14)19-11-10-18-2/h3-9H,10-11,17H2,1-2H3
InChIKeyGLSGPOPDYSYTAJ-UHFFFAOYSA-N
XLogP3.27
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
[2-[2-(2-methoxyethoxy)phenyl]phenyl]methanamine
CID 104660838
3-[2-(2-methoxyethoxy)phenyl]aniline
CID 104660805
3-(3-amino-2-methylphenyl)-2-methylaniline
CID 15336123
2-methyl-3-(2-propan-2-yloxyphenyl)aniline
CID 107626705
2-chloro-4-fluoro-6-[2-(2-methoxyethoxy)phenyl]aniline
CID 107615999
2-(2-aminophenyl)-4-(2-methoxyethoxy)benzene-1,3-diamine
CID 174469442
3-[7-(2-aminophenoxy)heptoxy]-2-methylaniline
CID 146356261
2-(2-methoxyethoxy)-3-methylaniline
CID 115550862
2-methyl-3-propoxyaniline
CID 23134606
2-[2-(2-methoxyethoxy)phenyl]-5-methylbenzoic acid
CID 104660750
4-[2-(2-methoxyethoxy)phenyl]-3-methylbenzoic acid
CID 104660748

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)phenyl]-2-methylaniline?
The IUPAC name of 3-[2-(2-methoxyethoxy)phenyl]-2-methylaniline (CID 107626878) is 3-[2-(2-methoxyethoxy)phenyl]-2-methylaniline.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)phenyl]-2-methylaniline?
The canonical SMILES for 3-[2-(2-methoxyethoxy)phenyl]-2-methylaniline is COCCOc1ccccc1-c1cccc(N)c1C.
What is the InChIKey of 3-[2-(2-methoxyethoxy)phenyl]-2-methylaniline?
The InChIKey is GLSGPOPDYSYTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-13(7-5-8-15(12)17)14-6-3-4-9-16(14)19-11-10-18-2/h3-9H,10-11,17H2,1-2H3.
What are the key properties of 3-[2-(2-methoxyethoxy)phenyl]-2-methylaniline?
3-[2-(2-methoxyethoxy)phenyl]-2-methylaniline has a molecular weight of 257.33 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)phenyl]-2-methylaniline is sourced from PubChem (CID 107626878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).