2-(2-methoxyethoxy)-3-methylaniline

C10H15NO2 — CID 115550862

IUPAC2-(2-methoxyethoxy)-3-methylaniline
SMILESCOCCOc1c(C)cccc1N
InChIInChI=1S/C10H15NO2/c1-8-4-3-5-9(11)10(8)13-7-6-12-2/h3-5H,6-7,11H2,1-2H3
InChIKeyYBNRAAWDQIKBII-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.60
Rot. Bonds4

About 2-(2-methoxyethoxy)-3-methylaniline

2-(2-methoxyethoxy)-3-methylaniline (PubChem CID 115550862) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-3-methylaniline.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-3-methylaniline
PubChem CID115550862
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-(2-methoxyethoxy)-3-methylaniline
SMILESCOCCOc1c(C)cccc1N
InChIInChI=1S/C10H15NO2/c1-8-4-3-5-9(11)10(8)13-7-6-12-2/h3-5H,6-7,11H2,1-2H3
InChIKeyYBNRAAWDQIKBII-UHFFFAOYSA-N
XLogP1.60
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.60
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

2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene
CID 83057558
1-chloro-2-(2-methoxyethoxy)-3-methylbenzene
CID 59177618
3-methyl-2-(2-methylpropoxy)aniline
CID 70699878
2-(1-methoxypropan-2-yloxy)-3-methylaniline
CID 115550968
1-(2-methoxyethoxy)-4-methylnaphthalene
CID 90431362
3-bromo-2-[3-(2-methoxyethoxy)propoxy]aniline
CID 103408903
[2-(3-methoxypropoxy)-3-methylphenyl]methanamine
CID 112607496
3-[2-(2-methoxyethoxy)phenyl]-2-methylaniline
CID 107626878
N-[2-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 134464806
2-[2-(2-amino-3-methylphenoxy)ethoxy]-6-methylaniline
CID 153401307
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 47216835
3-methyl-2-(2-propoxyphenoxy)aniline
CID 115550861

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-3-methylaniline?
The IUPAC name of 2-(2-methoxyethoxy)-3-methylaniline (CID 115550862) is 2-(2-methoxyethoxy)-3-methylaniline.
What is the SMILES notation for 2-(2-methoxyethoxy)-3-methylaniline?
The canonical SMILES for 2-(2-methoxyethoxy)-3-methylaniline is COCCOc1c(C)cccc1N.
What is the InChIKey of 2-(2-methoxyethoxy)-3-methylaniline?
The InChIKey is YBNRAAWDQIKBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8-4-3-5-9(11)10(8)13-7-6-12-2/h3-5H,6-7,11H2,1-2H3.
What are the key properties of 2-(2-methoxyethoxy)-3-methylaniline?
2-(2-methoxyethoxy)-3-methylaniline has a molecular weight of 181.23 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-3-methylaniline is sourced from PubChem (CID 115550862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).