1-(2-methoxynaphthalen-1-yl)naphthalen-2-amine

C21H17NO — CID 10968563

IUPAC1-(2-methoxynaphthalen-1-yl)naphthalen-2-amine
SMILESCOc1ccc2ccccc2c1-c1c(N)ccc2ccccc12
InChIInChI=1S/C21H17NO/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)20-16-8-4-2-6-14(16)10-12-18(20)22/h2-13H,22H2,1H3
InChIKeyKYJVOKXKSZAZRL-UHFFFAOYSA-N
MW299.37 g/mol
LogP5.25
Rot. Bonds2

About 1-(2-methoxynaphthalen-1-yl)naphthalen-2-amine

1-(2-methoxynaphthalen-1-yl)naphthalen-2-amine (PubChem CID 10968563) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-(2-methoxynaphthalen-1-yl)naphthalen-2-amine.

Molecular Properties

Compound Name1-(2-methoxynaphthalen-1-yl)naphthalen-2-amine
PubChem CID10968563
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name1-(2-methoxynaphthalen-1-yl)naphthalen-2-amine
SMILESCOc1ccc2ccccc2c1-c1c(N)ccc2ccccc12
InChIInChI=1S/C21H17NO/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)20-16-8-4-2-6-14(16)10-12-18(20)22/h2-13H,22H2,1H3
InChIKeyKYJVOKXKSZAZRL-UHFFFAOYSA-N
XLogP5.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.37
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methoxynaphthalen-1-yl)naphthalen-2-amine?
The IUPAC name of 1-(2-methoxynaphthalen-1-yl)naphthalen-2-amine (CID 10968563) is 1-(2-methoxynaphthalen-1-yl)naphthalen-2-amine.
What is the SMILES notation for 1-(2-methoxynaphthalen-1-yl)naphthalen-2-amine?
The canonical SMILES for 1-(2-methoxynaphthalen-1-yl)naphthalen-2-amine is COc1ccc2ccccc2c1-c1c(N)ccc2ccccc12.
What is the InChIKey of 1-(2-methoxynaphthalen-1-yl)naphthalen-2-amine?
The InChIKey is KYJVOKXKSZAZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)20-16-8-4-2-6-14(16)10-12-18(20)22/h2-13H,22H2,1H3.
What are the key properties of 1-(2-methoxynaphthalen-1-yl)naphthalen-2-amine?
1-(2-methoxynaphthalen-1-yl)naphthalen-2-amine has a molecular weight of 299.37 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxynaphthalen-1-yl)naphthalen-2-amine is sourced from PubChem (CID 10968563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).