N-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)aniline

C26H30N2O2 — CID 66627111

About N-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)aniline

N-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)aniline (PubChem CID 66627111) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

• Compound Name: N-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)aniline
• PubChem CID: 66627111
• Molecular Formula: C26H30N2O2
• Molecular Weight: 402.54 g/mol
• Exact Mass: 402.23
• IUPAC Name: N-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)aniline
• SMILES: CCN(Cc1cccnc1)c1cc(OC)ccc1C1CCc2cc(OC)ccc2C1
• InChI: InChI=1S/C26H30N2O2/c1-4-28(18-19-6-5-13-27-17-19)26-16-24(30-3)11-12-25(26)22-8-7-21-15-23(29-2)10-9-20(21)14-22/h5-6,9-13,15-17,22H,4,7-8,14,18H2,1-3H3
• InChIKey: OQRNNIJZRBNENF-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 34.59 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	402.54
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)aniline?

The IUPAC name of N-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)aniline (CID 66627111) is N-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)aniline.

What is the SMILES notation for N-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)aniline?

The canonical SMILES for N-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)aniline is CCN(Cc1cccnc1)c1cc(OC)ccc1C1CCc2cc(OC)ccc2C1.

What is the InChIKey of N-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)aniline?

The InChIKey is OQRNNIJZRBNENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-4-28(18-19-6-5-13-27-17-19)26-16-24(30-3)11-12-25(26)22-8-7-21-15-23(29-2)10-9-20(21)14-22/h5-6,9-13,15-17,22H,4,7-8,14,18H2,1-3H3.

What are the key properties of N-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)aniline?

N-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)aniline has a molecular weight of 402.54 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 66627111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).