4,5-dimethoxy-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine

C14H24N2O4 — CID 83000799

IUPAC4,5-dimethoxy-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine
SMILESCOCCN(CCOC)c1cc(OC)c(OC)cc1N
InChIInChI=1S/C14H24N2O4/c1-17-7-5-16(6-8-18-2)12-10-14(20-4)13(19-3)9-11(12)15/h9-10H,5-8,15H2,1-4H3
InChIKeyAOUZTFBLKQSXEF-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.39
Rot. Bonds9

About 4,5-dimethoxy-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine

4,5-dimethoxy-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine (PubChem CID 83000799) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4,5-dimethoxy-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4,5-dimethoxy-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine
PubChem CID83000799
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4,5-dimethoxy-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine
SMILESCOCCN(CCOC)c1cc(OC)c(OC)cc1N
InChIInChI=1S/C14H24N2O4/c1-17-7-5-16(6-8-18-2)12-10-14(20-4)13(19-3)9-11(12)15/h9-10H,5-8,15H2,1-4H3
InChIKeyAOUZTFBLKQSXEF-UHFFFAOYSA-N
XLogP1.39
TPSA66.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine?
The IUPAC name of 4,5-dimethoxy-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine (CID 83000799) is 4,5-dimethoxy-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine.
What is the SMILES notation for 4,5-dimethoxy-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine?
The canonical SMILES for 4,5-dimethoxy-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine is COCCN(CCOC)c1cc(OC)c(OC)cc1N.
What is the InChIKey of 4,5-dimethoxy-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine?
The InChIKey is AOUZTFBLKQSXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-17-7-5-16(6-8-18-2)12-10-14(20-4)13(19-3)9-11(12)15/h9-10H,5-8,15H2,1-4H3.
What are the key properties of 4,5-dimethoxy-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine?
4,5-dimethoxy-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine has a molecular weight of 284.36 g/mol, XLogP of 1.39, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine is sourced from PubChem (CID 83000799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).