3-methoxynaphthalen-1-amine

C11H11NO — CID 15868948

IUPAC3-methoxynaphthalen-1-amine
SMILESCOc1cc(N)c2ccccc2c1
InChIInChI=1S/C11H11NO/c1-13-9-6-8-4-2-3-5-10(8)11(12)7-9/h2-7H,12H2,1H3
InChIKeyDWDXXQHBIDECOI-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.43
Rot. Bonds1

About 3-methoxynaphthalen-1-amine

3-methoxynaphthalen-1-amine (PubChem CID 15868948) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 3-methoxynaphthalen-1-amine.

Molecular Properties

Compound Name3-methoxynaphthalen-1-amine
PubChem CID15868948
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name3-methoxynaphthalen-1-amine
SMILESCOc1cc(N)c2ccccc2c1
InChIInChI=1S/C11H11NO/c1-13-9-6-8-4-2-3-5-10(8)11(12)7-9/h2-7H,12H2,1H3
InChIKeyDWDXXQHBIDECOI-UHFFFAOYSA-N
XLogP2.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.43
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 3-methoxynaphthalen-1-amine?
The IUPAC name of 3-methoxynaphthalen-1-amine (CID 15868948) is 3-methoxynaphthalen-1-amine.
What is the SMILES notation for 3-methoxynaphthalen-1-amine?
The canonical SMILES for 3-methoxynaphthalen-1-amine is COc1cc(N)c2ccccc2c1.
What is the InChIKey of 3-methoxynaphthalen-1-amine?
The InChIKey is DWDXXQHBIDECOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-13-9-6-8-4-2-3-5-10(8)11(12)7-9/h2-7H,12H2,1H3.
What are the key properties of 3-methoxynaphthalen-1-amine?
3-methoxynaphthalen-1-amine has a molecular weight of 173.21 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxynaphthalen-1-amine is sourced from PubChem (CID 15868948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).