2,7-dimethoxynaphthalene-1,8-diamine

C12H14N2O2 — CID 12868710

IUPAC2,7-dimethoxynaphthalene-1,8-diamine
SMILESCOc1ccc2ccc(OC)c(N)c2c1N
InChIInChI=1S/C12H14N2O2/c1-15-8-5-3-7-4-6-9(16-2)12(14)10(7)11(8)13/h3-6H,13-14H2,1-2H3
InChIKeyRXGBZEPNCUJKKM-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.02
Rot. Bonds2

About 2,7-dimethoxynaphthalene-1,8-diamine

2,7-dimethoxynaphthalene-1,8-diamine (PubChem CID 12868710) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2,7-dimethoxynaphthalene-1,8-diamine.

Molecular Properties

Compound Name2,7-dimethoxynaphthalene-1,8-diamine
PubChem CID12868710
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2,7-dimethoxynaphthalene-1,8-diamine
SMILESCOc1ccc2ccc(OC)c(N)c2c1N
InChIInChI=1S/C12H14N2O2/c1-15-8-5-3-7-4-6-9(16-2)12(14)10(7)11(8)13/h3-6H,13-14H2,1-2H3
InChIKeyRXGBZEPNCUJKKM-UHFFFAOYSA-N
XLogP2.02
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethoxynaphthalene-1,8-diamine?
The IUPAC name of 2,7-dimethoxynaphthalene-1,8-diamine (CID 12868710) is 2,7-dimethoxynaphthalene-1,8-diamine.
What is the SMILES notation for 2,7-dimethoxynaphthalene-1,8-diamine?
The canonical SMILES for 2,7-dimethoxynaphthalene-1,8-diamine is COc1ccc2ccc(OC)c(N)c2c1N.
What is the InChIKey of 2,7-dimethoxynaphthalene-1,8-diamine?
The InChIKey is RXGBZEPNCUJKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-15-8-5-3-7-4-6-9(16-2)12(14)10(7)11(8)13/h3-6H,13-14H2,1-2H3.
What are the key properties of 2,7-dimethoxynaphthalene-1,8-diamine?
2,7-dimethoxynaphthalene-1,8-diamine has a molecular weight of 218.26 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethoxynaphthalene-1,8-diamine is sourced from PubChem (CID 12868710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).