1-methoxy-2H-naphthalen-1-amine

C11H13NO — CID 141164754

IUPAC1-methoxy-2H-naphthalen-1-amine
SMILESCOC1(N)CC=Cc2ccccc21
InChIInChI=1S/C11H13NO/c1-13-11(12)8-4-6-9-5-2-3-7-10(9)11/h2-7H,8,12H2,1H3
InChIKeyDWODFAFQMXNEER-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.86
Rot. Bonds1

About 1-methoxy-2H-naphthalen-1-amine

1-methoxy-2H-naphthalen-1-amine (PubChem CID 141164754) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-methoxy-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-methoxy-2H-naphthalen-1-amine
PubChem CID141164754
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-methoxy-2H-naphthalen-1-amine
SMILESCOC1(N)CC=Cc2ccccc21
InChIInChI=1S/C11H13NO/c1-13-11(12)8-4-6-9-5-2-3-7-10(9)11/h2-7H,8,12H2,1H3
InChIKeyDWODFAFQMXNEER-UHFFFAOYSA-N
XLogP1.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2H-naphthalen-1-amine?
The IUPAC name of 1-methoxy-2H-naphthalen-1-amine (CID 141164754) is 1-methoxy-2H-naphthalen-1-amine.
What is the SMILES notation for 1-methoxy-2H-naphthalen-1-amine?
The canonical SMILES for 1-methoxy-2H-naphthalen-1-amine is COC1(N)CC=Cc2ccccc21.
What is the InChIKey of 1-methoxy-2H-naphthalen-1-amine?
The InChIKey is DWODFAFQMXNEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-13-11(12)8-4-6-9-5-2-3-7-10(9)11/h2-7H,8,12H2,1H3.
What are the key properties of 1-methoxy-2H-naphthalen-1-amine?
1-methoxy-2H-naphthalen-1-amine has a molecular weight of 175.23 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2H-naphthalen-1-amine is sourced from PubChem (CID 141164754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).