3-[2-(2-methoxyethoxy)ethoxy]-2-N-methylbenzene-1,2-diamine

C12H20N2O3 — CID 143666027

IUPAC3-[2-(2-methoxyethoxy)ethoxy]-2-N-methylbenzene-1,2-diamine
SMILESCNc1c(N)cccc1OCCOCCOC
InChIInChI=1S/C12H20N2O3/c1-14-12-10(13)4-3-5-11(12)17-9-8-16-7-6-15-2/h3-5,14H,6-9,13H2,1-2H3
InChIKeyMJLMCZSVRAGXIC-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.35
Rot. Bonds8

About 3-[2-(2-methoxyethoxy)ethoxy]-2-N-methylbenzene-1,2-diamine

3-[2-(2-methoxyethoxy)ethoxy]-2-N-methylbenzene-1,2-diamine (PubChem CID 143666027) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethoxy]-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethoxy]-2-N-methylbenzene-1,2-diamine
PubChem CID143666027
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-[2-(2-methoxyethoxy)ethoxy]-2-N-methylbenzene-1,2-diamine
SMILESCNc1c(N)cccc1OCCOCCOC
InChIInChI=1S/C12H20N2O3/c1-14-12-10(13)4-3-5-11(12)17-9-8-16-7-6-15-2/h3-5,14H,6-9,13H2,1-2H3
InChIKeyMJLMCZSVRAGXIC-UHFFFAOYSA-N
XLogP1.35
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
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

2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 60918283
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline
CID 104559855
2-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid
CID 104564090
2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline
CID 666143
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenol
CID 104564323
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559788
2-[2-[5-(2-methoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol
CID 58864087
3-methoxy-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 167734117
3-amino-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbenzenesulfonamide
CID 104559947
methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzoate
CID 11109738
1-(chloromethyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzene
CID 10859628

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)ethoxy]-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethoxy]-2-N-methylbenzene-1,2-diamine (CID 143666027) is 3-[2-(2-methoxyethoxy)ethoxy]-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethoxy]-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethoxy]-2-N-methylbenzene-1,2-diamine is CNc1c(N)cccc1OCCOCCOC.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethoxy]-2-N-methylbenzene-1,2-diamine?
The InChIKey is MJLMCZSVRAGXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-14-12-10(13)4-3-5-11(12)17-9-8-16-7-6-15-2/h3-5,14H,6-9,13H2,1-2H3.
What are the key properties of 3-[2-(2-methoxyethoxy)ethoxy]-2-N-methylbenzene-1,2-diamine?
3-[2-(2-methoxyethoxy)ethoxy]-2-N-methylbenzene-1,2-diamine has a molecular weight of 240.30 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethoxy]-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 143666027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).