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

C26H30N2O2 — CID 66626931

IUPACN-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-2-ylmethyl)aniline
SMILESCCN(Cc1ccccn1)c1cc(OC)ccc1C1CCc2cc(OC)ccc2C1
InChIInChI=1S/C26H30N2O2/c1-4-28(18-22-7-5-6-14-27-22)26-17-24(30-3)12-13-25(26)21-9-8-20-16-23(29-2)11-10-19(20)15-21/h5-7,10-14,16-17,21H,4,8-9,15,18H2,1-3H3
InChIKeyBERIKHZUEHURSU-UHFFFAOYSA-N
MW402.54 g/mol
LogP5.40
Rot. Bonds7

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

N-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-2-ylmethyl)aniline (PubChem CID 66626931) 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-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-2-ylmethyl)aniline
PubChem CID66626931
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC NameN-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-2-ylmethyl)aniline
SMILESCCN(Cc1ccccn1)c1cc(OC)ccc1C1CCc2cc(OC)ccc2C1
InChIInChI=1S/C26H30N2O2/c1-4-28(18-22-7-5-6-14-27-22)26-17-24(30-3)12-13-25(26)21-9-8-20-16-23(29-2)11-10-19(20)15-21/h5-7,10-14,16-17,21H,4,8-9,15,18H2,1-3H3
InChIKeyBERIKHZUEHURSU-UHFFFAOYSA-N
XLogP5.40
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-2-ylmethyl)aniline?
The IUPAC name of N-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-2-ylmethyl)aniline (CID 66626931) is N-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-2-ylmethyl)aniline.
What is the SMILES notation for N-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-2-ylmethyl)aniline?
The canonical SMILES for N-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-2-ylmethyl)aniline is CCN(Cc1ccccn1)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-2-ylmethyl)aniline?
The InChIKey is BERIKHZUEHURSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-4-28(18-22-7-5-6-14-27-22)26-17-24(30-3)12-13-25(26)21-9-8-20-16-23(29-2)11-10-19(20)15-21/h5-7,10-14,16-17,21H,4,8-9,15,18H2,1-3H3.
What are the key properties of N-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-2-ylmethyl)aniline?
N-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-2-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-2-ylmethyl)aniline is sourced from PubChem (CID 66626931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).