3-[3-(methoxymethyl)phenyl]-5-naphthalen-1-ylpyridin-2-amine

C23H20N2O — CID 155539517

IUPAC3-[3-(methoxymethyl)phenyl]-5-naphthalen-1-ylpyridin-2-amine
SMILESCOCc1cccc(-c2cc(-c3cccc4ccccc34)cnc2N)c1
InChIInChI=1S/C23H20N2O/c1-26-15-16-6-4-9-18(12-16)22-13-19(14-25-23(22)24)21-11-5-8-17-7-2-3-10-20(17)21/h2-14H,15H2,1H3,(H2,24,25)
InChIKeyOWBOLHMKFMLBGP-UHFFFAOYSA-N
MW340.43 g/mol
LogP5.30
Rot. Bonds4

About 3-[3-(methoxymethyl)phenyl]-5-naphthalen-1-ylpyridin-2-amine

3-[3-(methoxymethyl)phenyl]-5-naphthalen-1-ylpyridin-2-amine (PubChem CID 155539517) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)phenyl]-5-naphthalen-1-ylpyridin-2-amine.

Molecular Properties

Compound Name3-[3-(methoxymethyl)phenyl]-5-naphthalen-1-ylpyridin-2-amine
PubChem CID155539517
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name3-[3-(methoxymethyl)phenyl]-5-naphthalen-1-ylpyridin-2-amine
SMILESCOCc1cccc(-c2cc(-c3cccc4ccccc34)cnc2N)c1
InChIInChI=1S/C23H20N2O/c1-26-15-16-6-4-9-18(12-16)22-13-19(14-25-23(22)24)21-11-5-8-17-7-2-3-10-20(17)21/h2-14H,15H2,1H3,(H2,24,25)
InChIKeyOWBOLHMKFMLBGP-UHFFFAOYSA-N
XLogP5.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)phenyl]-5-naphthalen-1-ylpyridin-2-amine?
The IUPAC name of 3-[3-(methoxymethyl)phenyl]-5-naphthalen-1-ylpyridin-2-amine (CID 155539517) is 3-[3-(methoxymethyl)phenyl]-5-naphthalen-1-ylpyridin-2-amine.
What is the SMILES notation for 3-[3-(methoxymethyl)phenyl]-5-naphthalen-1-ylpyridin-2-amine?
The canonical SMILES for 3-[3-(methoxymethyl)phenyl]-5-naphthalen-1-ylpyridin-2-amine is COCc1cccc(-c2cc(-c3cccc4ccccc34)cnc2N)c1.
What is the InChIKey of 3-[3-(methoxymethyl)phenyl]-5-naphthalen-1-ylpyridin-2-amine?
The InChIKey is OWBOLHMKFMLBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O/c1-26-15-16-6-4-9-18(12-16)22-13-19(14-25-23(22)24)21-11-5-8-17-7-2-3-10-20(17)21/h2-14H,15H2,1H3,(H2,24,25).
What are the key properties of 3-[3-(methoxymethyl)phenyl]-5-naphthalen-1-ylpyridin-2-amine?
3-[3-(methoxymethyl)phenyl]-5-naphthalen-1-ylpyridin-2-amine has a molecular weight of 340.43 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)phenyl]-5-naphthalen-1-ylpyridin-2-amine is sourced from PubChem (CID 155539517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).