1-(2-amino-7-methoxynaphthalen-1-yl)-7-methoxynaphthalen-2-amine

C22H20N2O2 — CID 102434733

IUPAC1-(2-amino-7-methoxynaphthalen-1-yl)-7-methoxynaphthalen-2-amine
SMILESCOc1ccc2ccc(N)c(-c3c(N)ccc4ccc(OC)cc34)c2c1
InChIInChI=1S/C22H20N2O2/c1-25-15-7-3-13-5-9-19(23)21(17(13)11-15)22-18-12-16(26-2)8-4-14(18)6-10-20(22)24/h3-12H,23-24H2,1-2H3
InChIKeyDTOYXRZMLBVJJO-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.84
Rot. Bonds3

About 1-(2-amino-7-methoxynaphthalen-1-yl)-7-methoxynaphthalen-2-amine

1-(2-amino-7-methoxynaphthalen-1-yl)-7-methoxynaphthalen-2-amine (PubChem CID 102434733) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-(2-amino-7-methoxynaphthalen-1-yl)-7-methoxynaphthalen-2-amine.

Molecular Properties

Compound Name1-(2-amino-7-methoxynaphthalen-1-yl)-7-methoxynaphthalen-2-amine
PubChem CID102434733
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name1-(2-amino-7-methoxynaphthalen-1-yl)-7-methoxynaphthalen-2-amine
SMILESCOc1ccc2ccc(N)c(-c3c(N)ccc4ccc(OC)cc34)c2c1
InChIInChI=1S/C22H20N2O2/c1-25-15-7-3-13-5-9-19(23)21(17(13)11-15)22-18-12-16(26-2)8-4-14(18)6-10-20(22)24/h3-12H,23-24H2,1-2H3
InChIKeyDTOYXRZMLBVJJO-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 1-(2-amino-7-methoxynaphthalen-1-yl)-7-methoxynaphthalen-2-amine?
The IUPAC name of 1-(2-amino-7-methoxynaphthalen-1-yl)-7-methoxynaphthalen-2-amine (CID 102434733) is 1-(2-amino-7-methoxynaphthalen-1-yl)-7-methoxynaphthalen-2-amine.
What is the SMILES notation for 1-(2-amino-7-methoxynaphthalen-1-yl)-7-methoxynaphthalen-2-amine?
The canonical SMILES for 1-(2-amino-7-methoxynaphthalen-1-yl)-7-methoxynaphthalen-2-amine is COc1ccc2ccc(N)c(-c3c(N)ccc4ccc(OC)cc34)c2c1.
What is the InChIKey of 1-(2-amino-7-methoxynaphthalen-1-yl)-7-methoxynaphthalen-2-amine?
The InChIKey is DTOYXRZMLBVJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-25-15-7-3-13-5-9-19(23)21(17(13)11-15)22-18-12-16(26-2)8-4-14(18)6-10-20(22)24/h3-12H,23-24H2,1-2H3.
What are the key properties of 1-(2-amino-7-methoxynaphthalen-1-yl)-7-methoxynaphthalen-2-amine?
1-(2-amino-7-methoxynaphthalen-1-yl)-7-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 1-(2-amino-7-methoxynaphthalen-1-yl)-7-methoxynaphthalen-2-amine is sourced from PubChem (CID 102434733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).