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

C15H26N2O3 — CID 83001129

IUPAC4,5-dimethoxy-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)benzene-1,2-diamine
SMILESCOCCN(CC(C)C)c1cc(OC)c(OC)cc1N
InChIInChI=1S/C15H26N2O3/c1-11(2)10-17(6-7-18-3)13-9-15(20-5)14(19-4)8-12(13)16/h8-9,11H,6-7,10,16H2,1-5H3
InChIKeyLWYPFJYZNZKLBO-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.39
Rot. Bonds8

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

4,5-dimethoxy-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)benzene-1,2-diamine (PubChem CID 83001129) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4,5-dimethoxy-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4,5-dimethoxy-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)benzene-1,2-diamine
PubChem CID83001129
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name4,5-dimethoxy-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)benzene-1,2-diamine
SMILESCOCCN(CC(C)C)c1cc(OC)c(OC)cc1N
InChIInChI=1S/C15H26N2O3/c1-11(2)10-17(6-7-18-3)13-9-15(20-5)14(19-4)8-12(13)16/h8-9,11H,6-7,10,16H2,1-5H3
InChIKeyLWYPFJYZNZKLBO-UHFFFAOYSA-N
XLogP2.39
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxyethyl)-2-N-(2-methylpropyl)benzene-1,2-diamine?
The IUPAC name of 4,5-dimethoxy-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)benzene-1,2-diamine (CID 83001129) is 4,5-dimethoxy-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)benzene-1,2-diamine.
What is the SMILES notation for 4,5-dimethoxy-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)benzene-1,2-diamine?
The canonical SMILES for 4,5-dimethoxy-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)benzene-1,2-diamine is COCCN(CC(C)C)c1cc(OC)c(OC)cc1N.
What is the InChIKey of 4,5-dimethoxy-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)benzene-1,2-diamine?
The InChIKey is LWYPFJYZNZKLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(2)10-17(6-7-18-3)13-9-15(20-5)14(19-4)8-12(13)16/h8-9,11H,6-7,10,16H2,1-5H3.
What are the key properties of 4,5-dimethoxy-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)benzene-1,2-diamine?
4,5-dimethoxy-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)benzene-1,2-diamine has a molecular weight of 282.38 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)benzene-1,2-diamine is sourced from PubChem (CID 83001129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).