1-methoxy-8-methylnaphthalen-2-amine

C12H13NO — CID 115017290

IUPAC1-methoxy-8-methylnaphthalen-2-amine
SMILESCOc1c(N)ccc2cccc(C)c12
InChIInChI=1S/C12H13NO/c1-8-4-3-5-9-6-7-10(13)12(14-2)11(8)9/h3-7H,13H2,1-2H3
InChIKeyZSXWSPJZLHYVMV-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.74
Rot. Bonds1

About 1-methoxy-8-methylnaphthalen-2-amine

1-methoxy-8-methylnaphthalen-2-amine (PubChem CID 115017290) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-methoxy-8-methylnaphthalen-2-amine.

Molecular Properties

Compound Name1-methoxy-8-methylnaphthalen-2-amine
PubChem CID115017290
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-methoxy-8-methylnaphthalen-2-amine
SMILESCOc1c(N)ccc2cccc(C)c12
InChIInChI=1S/C12H13NO/c1-8-4-3-5-9-6-7-10(13)12(14-2)11(8)9/h3-7H,13H2,1-2H3
InChIKeyZSXWSPJZLHYVMV-UHFFFAOYSA-N
XLogP2.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.74
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-methoxy-8-methylnaphthalen-2-amine?
The IUPAC name of 1-methoxy-8-methylnaphthalen-2-amine (CID 115017290) is 1-methoxy-8-methylnaphthalen-2-amine.
What is the SMILES notation for 1-methoxy-8-methylnaphthalen-2-amine?
The canonical SMILES for 1-methoxy-8-methylnaphthalen-2-amine is COc1c(N)ccc2cccc(C)c12.
What is the InChIKey of 1-methoxy-8-methylnaphthalen-2-amine?
The InChIKey is ZSXWSPJZLHYVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-8-4-3-5-9-6-7-10(13)12(14-2)11(8)9/h3-7H,13H2,1-2H3.
What are the key properties of 1-methoxy-8-methylnaphthalen-2-amine?
1-methoxy-8-methylnaphthalen-2-amine has a molecular weight of 187.24 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-8-methylnaphthalen-2-amine is sourced from PubChem (CID 115017290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).