5-methoxy-N,N-dimethylnaphthalen-1-amine

C13H15NO — CID 12662278

IUPAC5-methoxy-N,N-dimethylnaphthalen-1-amine
SMILESCOc1cccc2c(N(C)C)cccc12
InChIInChI=1S/C13H15NO/c1-14(2)12-8-4-7-11-10(12)6-5-9-13(11)15-3/h4-9H,1-3H3
InChIKeyVKQJHMXDJLPBCA-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.91
Rot. Bonds2

About 5-methoxy-N,N-dimethylnaphthalen-1-amine

5-methoxy-N,N-dimethylnaphthalen-1-amine (PubChem CID 12662278) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-methoxy-N,N-dimethylnaphthalen-1-amine.

Molecular Properties

Compound Name5-methoxy-N,N-dimethylnaphthalen-1-amine
PubChem CID12662278
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name5-methoxy-N,N-dimethylnaphthalen-1-amine
SMILESCOc1cccc2c(N(C)C)cccc12
InChIInChI=1S/C13H15NO/c1-14(2)12-8-4-7-11-10(12)6-5-9-13(11)15-3/h4-9H,1-3H3
InChIKeyVKQJHMXDJLPBCA-UHFFFAOYSA-N
XLogP2.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N,N-dimethylnaphthalen-1-amine?
The IUPAC name of 5-methoxy-N,N-dimethylnaphthalen-1-amine (CID 12662278) is 5-methoxy-N,N-dimethylnaphthalen-1-amine.
What is the SMILES notation for 5-methoxy-N,N-dimethylnaphthalen-1-amine?
The canonical SMILES for 5-methoxy-N,N-dimethylnaphthalen-1-amine is COc1cccc2c(N(C)C)cccc12.
What is the InChIKey of 5-methoxy-N,N-dimethylnaphthalen-1-amine?
The InChIKey is VKQJHMXDJLPBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-14(2)12-8-4-7-11-10(12)6-5-9-13(11)15-3/h4-9H,1-3H3.
What are the key properties of 5-methoxy-N,N-dimethylnaphthalen-1-amine?
5-methoxy-N,N-dimethylnaphthalen-1-amine has a molecular weight of 201.27 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N,N-dimethylnaphthalen-1-amine is sourced from PubChem (CID 12662278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).