4-N-(2-methoxyethyl)-1-N-methyl-1-N-(oxiran-2-yl)-4-N-(oxiran-2-ylmethyl)benzene-1,4-diamine

C15H22N2O3 — CID 134566956

IUPAC4-N-(2-methoxyethyl)-1-N-methyl-1-N-(oxiran-2-yl)-4-N-(oxiran-2-ylmethyl)benzene-1,4-diamine
SMILESCOCCN(CC1CO1)c1ccc(N(C)C2CO2)cc1
InChIInChI=1S/C15H22N2O3/c1-16(15-11-20-15)12-3-5-13(6-4-12)17(7-8-18-2)9-14-10-19-14/h3-6,14-15H,7-11H2,1-2H3
InChIKeyMTQAVNLLCYEYQM-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.33
Rot. Bonds8

About 4-N-(2-methoxyethyl)-1-N-methyl-1-N-(oxiran-2-yl)-4-N-(oxiran-2-ylmethyl)benzene-1,4-diamine

4-N-(2-methoxyethyl)-1-N-methyl-1-N-(oxiran-2-yl)-4-N-(oxiran-2-ylmethyl)benzene-1,4-diamine (PubChem CID 134566956) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-1-N-methyl-1-N-(oxiran-2-yl)-4-N-(oxiran-2-ylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-1-N-methyl-1-N-(oxiran-2-yl)-4-N-(oxiran-2-ylmethyl)benzene-1,4-diamine
PubChem CID134566956
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-N-(2-methoxyethyl)-1-N-methyl-1-N-(oxiran-2-yl)-4-N-(oxiran-2-ylmethyl)benzene-1,4-diamine
SMILESCOCCN(CC1CO1)c1ccc(N(C)C2CO2)cc1
InChIInChI=1S/C15H22N2O3/c1-16(15-11-20-15)12-3-5-13(6-4-12)17(7-8-18-2)9-14-10-19-14/h3-6,14-15H,7-11H2,1-2H3
InChIKeyMTQAVNLLCYEYQM-UHFFFAOYSA-N
XLogP1.33
TPSA40.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-1-N-methyl-1-N-(oxiran-2-yl)-4-N-(oxiran-2-ylmethyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-1-N-methyl-1-N-(oxiran-2-yl)-4-N-(oxiran-2-ylmethyl)benzene-1,4-diamine (CID 134566956) is 4-N-(2-methoxyethyl)-1-N-methyl-1-N-(oxiran-2-yl)-4-N-(oxiran-2-ylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-1-N-methyl-1-N-(oxiran-2-yl)-4-N-(oxiran-2-ylmethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-1-N-methyl-1-N-(oxiran-2-yl)-4-N-(oxiran-2-ylmethyl)benzene-1,4-diamine is COCCN(CC1CO1)c1ccc(N(C)C2CO2)cc1.
What is the InChIKey of 4-N-(2-methoxyethyl)-1-N-methyl-1-N-(oxiran-2-yl)-4-N-(oxiran-2-ylmethyl)benzene-1,4-diamine?
The InChIKey is MTQAVNLLCYEYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-16(15-11-20-15)12-3-5-13(6-4-12)17(7-8-18-2)9-14-10-19-14/h3-6,14-15H,7-11H2,1-2H3.
What are the key properties of 4-N-(2-methoxyethyl)-1-N-methyl-1-N-(oxiran-2-yl)-4-N-(oxiran-2-ylmethyl)benzene-1,4-diamine?
4-N-(2-methoxyethyl)-1-N-methyl-1-N-(oxiran-2-yl)-4-N-(oxiran-2-ylmethyl)benzene-1,4-diamine has a molecular weight of 278.35 g/mol, XLogP of 1.33, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-1-N-methyl-1-N-(oxiran-2-yl)-4-N-(oxiran-2-ylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 134566956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).