3-(8-methoxynaphthalen-1-yl)-N,N-dimethylpyridin-4-amine

C18H18N2O — CID 10826459

IUPAC3-(8-methoxynaphthalen-1-yl)-N,N-dimethylpyridin-4-amine
SMILESCOc1cccc2cccc(-c3cnccc3N(C)C)c12
InChIInChI=1S/C18H18N2O/c1-20(2)16-10-11-19-12-15(16)14-8-4-6-13-7-5-9-17(21-3)18(13)14/h4-12H,1-3H3
InChIKeyHGUOEBZLAITSAU-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.98
Rot. Bonds3

About 3-(8-methoxynaphthalen-1-yl)-N,N-dimethylpyridin-4-amine

3-(8-methoxynaphthalen-1-yl)-N,N-dimethylpyridin-4-amine (PubChem CID 10826459) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-(8-methoxynaphthalen-1-yl)-N,N-dimethylpyridin-4-amine.

Molecular Properties

Compound Name3-(8-methoxynaphthalen-1-yl)-N,N-dimethylpyridin-4-amine
PubChem CID10826459
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name3-(8-methoxynaphthalen-1-yl)-N,N-dimethylpyridin-4-amine
SMILESCOc1cccc2cccc(-c3cnccc3N(C)C)c12
InChIInChI=1S/C18H18N2O/c1-20(2)16-10-11-19-12-15(16)14-8-4-6-13-7-5-9-17(21-3)18(13)14/h4-12H,1-3H3
InChIKeyHGUOEBZLAITSAU-UHFFFAOYSA-N
XLogP3.98
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(8-methoxynaphthalen-1-yl)-N,N-dimethylpyridin-4-amine?
The IUPAC name of 3-(8-methoxynaphthalen-1-yl)-N,N-dimethylpyridin-4-amine (CID 10826459) is 3-(8-methoxynaphthalen-1-yl)-N,N-dimethylpyridin-4-amine.
What is the SMILES notation for 3-(8-methoxynaphthalen-1-yl)-N,N-dimethylpyridin-4-amine?
The canonical SMILES for 3-(8-methoxynaphthalen-1-yl)-N,N-dimethylpyridin-4-amine is COc1cccc2cccc(-c3cnccc3N(C)C)c12.
What is the InChIKey of 3-(8-methoxynaphthalen-1-yl)-N,N-dimethylpyridin-4-amine?
The InChIKey is HGUOEBZLAITSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-20(2)16-10-11-19-12-15(16)14-8-4-6-13-7-5-9-17(21-3)18(13)14/h4-12H,1-3H3.
What are the key properties of 3-(8-methoxynaphthalen-1-yl)-N,N-dimethylpyridin-4-amine?
3-(8-methoxynaphthalen-1-yl)-N,N-dimethylpyridin-4-amine has a molecular weight of 278.36 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methoxynaphthalen-1-yl)-N,N-dimethylpyridin-4-amine is sourced from PubChem (CID 10826459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).