5-(6-amino-2-methoxynaphthalen-1-yl)-6-methoxynaphthalen-2-amine

C22H20N2O2 — CID 91579617

IUPAC5-(6-amino-2-methoxynaphthalen-1-yl)-6-methoxynaphthalen-2-amine
SMILESCOc1ccc2cc(N)ccc2c1-c1c(OC)ccc2cc(N)ccc12
InChIInChI=1S/C22H20N2O2/c1-25-19-9-3-13-11-15(23)5-7-17(13)21(19)22-18-8-6-16(24)12-14(18)4-10-20(22)26-2/h3-12H,23-24H2,1-2H3
InChIKeySKJJASOTTPBFDF-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.84
Rot. Bonds3

About 5-(6-amino-2-methoxynaphthalen-1-yl)-6-methoxynaphthalen-2-amine

5-(6-amino-2-methoxynaphthalen-1-yl)-6-methoxynaphthalen-2-amine (PubChem CID 91579617) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 5-(6-amino-2-methoxynaphthalen-1-yl)-6-methoxynaphthalen-2-amine.

Molecular Properties

Compound Name5-(6-amino-2-methoxynaphthalen-1-yl)-6-methoxynaphthalen-2-amine
PubChem CID91579617
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name5-(6-amino-2-methoxynaphthalen-1-yl)-6-methoxynaphthalen-2-amine
SMILESCOc1ccc2cc(N)ccc2c1-c1c(OC)ccc2cc(N)ccc12
InChIInChI=1S/C22H20N2O2/c1-25-19-9-3-13-11-15(23)5-7-17(13)21(19)22-18-8-6-16(24)12-14(18)4-10-20(22)26-2/h3-12H,23-24H2,1-2H3
InChIKeySKJJASOTTPBFDF-UHFFFAOYSA-N
XLogP4.84
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.84
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 5-(6-amino-2-methoxynaphthalen-1-yl)-6-methoxynaphthalen-2-amine?
The IUPAC name of 5-(6-amino-2-methoxynaphthalen-1-yl)-6-methoxynaphthalen-2-amine (CID 91579617) is 5-(6-amino-2-methoxynaphthalen-1-yl)-6-methoxynaphthalen-2-amine.
What is the SMILES notation for 5-(6-amino-2-methoxynaphthalen-1-yl)-6-methoxynaphthalen-2-amine?
The canonical SMILES for 5-(6-amino-2-methoxynaphthalen-1-yl)-6-methoxynaphthalen-2-amine is COc1ccc2cc(N)ccc2c1-c1c(OC)ccc2cc(N)ccc12.
What is the InChIKey of 5-(6-amino-2-methoxynaphthalen-1-yl)-6-methoxynaphthalen-2-amine?
The InChIKey is SKJJASOTTPBFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-25-19-9-3-13-11-15(23)5-7-17(13)21(19)22-18-8-6-16(24)12-14(18)4-10-20(22)26-2/h3-12H,23-24H2,1-2H3.
What are the key properties of 5-(6-amino-2-methoxynaphthalen-1-yl)-6-methoxynaphthalen-2-amine?
5-(6-amino-2-methoxynaphthalen-1-yl)-6-methoxynaphthalen-2-amine has a molecular weight of 344.41 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-2-methoxynaphthalen-1-yl)-6-methoxynaphthalen-2-amine is sourced from PubChem (CID 91579617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).