4-methoxy-1-N,8-N-dimethylnaphthalene-1,8-diamine

C13H16N2O — CID 123748583

IUPAC4-methoxy-1-N,8-N-dimethylnaphthalene-1,8-diamine
SMILESCNc1cccc2c(OC)ccc(NC)c12
InChIInChI=1S/C13H16N2O/c1-14-10-6-4-5-9-12(16-3)8-7-11(15-2)13(9)10/h4-8,14-15H,1-3H3
InChIKeyWFUBVJSPGQKDRB-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.93
Rot. Bonds3

About 4-methoxy-1-N,8-N-dimethylnaphthalene-1,8-diamine

4-methoxy-1-N,8-N-dimethylnaphthalene-1,8-diamine (PubChem CID 123748583) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-methoxy-1-N,8-N-dimethylnaphthalene-1,8-diamine.

Molecular Properties

Compound Name4-methoxy-1-N,8-N-dimethylnaphthalene-1,8-diamine
PubChem CID123748583
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-methoxy-1-N,8-N-dimethylnaphthalene-1,8-diamine
SMILESCNc1cccc2c(OC)ccc(NC)c12
InChIInChI=1S/C13H16N2O/c1-14-10-6-4-5-9-12(16-3)8-7-11(15-2)13(9)10/h4-8,14-15H,1-3H3
InChIKeyWFUBVJSPGQKDRB-UHFFFAOYSA-N
XLogP2.93
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-N,8-N-dimethylnaphthalene-1,8-diamine?
The IUPAC name of 4-methoxy-1-N,8-N-dimethylnaphthalene-1,8-diamine (CID 123748583) is 4-methoxy-1-N,8-N-dimethylnaphthalene-1,8-diamine.
What is the SMILES notation for 4-methoxy-1-N,8-N-dimethylnaphthalene-1,8-diamine?
The canonical SMILES for 4-methoxy-1-N,8-N-dimethylnaphthalene-1,8-diamine is CNc1cccc2c(OC)ccc(NC)c12.
What is the InChIKey of 4-methoxy-1-N,8-N-dimethylnaphthalene-1,8-diamine?
The InChIKey is WFUBVJSPGQKDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-14-10-6-4-5-9-12(16-3)8-7-11(15-2)13(9)10/h4-8,14-15H,1-3H3.
What are the key properties of 4-methoxy-1-N,8-N-dimethylnaphthalene-1,8-diamine?
4-methoxy-1-N,8-N-dimethylnaphthalene-1,8-diamine has a molecular weight of 216.28 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-N,8-N-dimethylnaphthalene-1,8-diamine is sourced from PubChem (CID 123748583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).