4-N-(2-ethoxyethyl)-4-N-methylbenzene-1,2,4-triamine

C11H19N3O — CID 106751027

IUPAC4-N-(2-ethoxyethyl)-4-N-methylbenzene-1,2,4-triamine
SMILESCCOCCN(C)c1ccc(N)c(N)c1
InChIInChI=1S/C11H19N3O/c1-3-15-7-6-14(2)9-4-5-10(12)11(13)8-9/h4-5,8H,3,6-7,12-13H2,1-2H3
InChIKeyMYGYFGZWGWUZLU-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.32
Rot. Bonds5

About 4-N-(2-ethoxyethyl)-4-N-methylbenzene-1,2,4-triamine

4-N-(2-ethoxyethyl)-4-N-methylbenzene-1,2,4-triamine (PubChem CID 106751027) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-N-(2-ethoxyethyl)-4-N-methylbenzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N-(2-ethoxyethyl)-4-N-methylbenzene-1,2,4-triamine
PubChem CID106751027
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-N-(2-ethoxyethyl)-4-N-methylbenzene-1,2,4-triamine
SMILESCCOCCN(C)c1ccc(N)c(N)c1
InChIInChI=1S/C11H19N3O/c1-3-15-7-6-14(2)9-4-5-10(12)11(13)8-9/h4-5,8H,3,6-7,12-13H2,1-2H3
InChIKeyMYGYFGZWGWUZLU-UHFFFAOYSA-N
XLogP1.32
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
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

2-amino-5-[2-ethoxyethyl(methyl)amino]benzoic acid
CID 81061457
4-N-butyl-4-N-methylbenzene-1,2,4-triamine
CID 106750191
4-N-methyl-4-N-pentylbenzene-1,2,4-triamine
CID 106750383
4-N-(3-ethoxypropyl)-4-N-methylbenzene-1,4-diamine
CID 65175697
4-N-methyl-4-N-(3-methylbutyl)benzene-1,2,4-triamine
CID 106750518
2-ethoxy-4-N-(2-methoxyethyl)-4-N-methylbenzene-1,4-diamine
CID 63671709
2-chloro-4-[2-ethoxyethyl(methyl)amino]benzonitrile
CID 81056253
2-N-(2-ethoxyethyl)-3,4-difluoro-2-N-methylbenzene-1,2-diamine
CID 81059459
4-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,2,4-triamine
CID 106750670
1-[4-[2-ethoxyethyl(methyl)amino]phenyl]ethanol
CID 81057167
4-N-methyl-2-propoxy-4-N-propylbenzene-1,4-diamine
CID 63671140
3-N-(2-ethoxyethyl)-3-N,2-dimethylbenzene-1,3-diamine
CID 81059669

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyethyl)-4-N-methylbenzene-1,2,4-triamine?
The IUPAC name of 4-N-(2-ethoxyethyl)-4-N-methylbenzene-1,2,4-triamine (CID 106751027) is 4-N-(2-ethoxyethyl)-4-N-methylbenzene-1,2,4-triamine.
What is the SMILES notation for 4-N-(2-ethoxyethyl)-4-N-methylbenzene-1,2,4-triamine?
The canonical SMILES for 4-N-(2-ethoxyethyl)-4-N-methylbenzene-1,2,4-triamine is CCOCCN(C)c1ccc(N)c(N)c1.
What is the InChIKey of 4-N-(2-ethoxyethyl)-4-N-methylbenzene-1,2,4-triamine?
The InChIKey is MYGYFGZWGWUZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-15-7-6-14(2)9-4-5-10(12)11(13)8-9/h4-5,8H,3,6-7,12-13H2,1-2H3.
What are the key properties of 4-N-(2-ethoxyethyl)-4-N-methylbenzene-1,2,4-triamine?
4-N-(2-ethoxyethyl)-4-N-methylbenzene-1,2,4-triamine has a molecular weight of 209.29 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyethyl)-4-N-methylbenzene-1,2,4-triamine is sourced from PubChem (CID 106751027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).