N,N-dibenzyl-2-(3-methylpyrazin-2-yl)oxyethanamine;hydrochloride

C21H24ClN3O — CID 70618681

IUPACN,N-dibenzyl-2-(3-methylpyrazin-2-yl)oxyethanamine;hydrochloride
SMILESCc1nccnc1OCCN(Cc1ccccc1)Cc1ccccc1.Cl
InChIInChI=1S/C21H23N3O.ClH/c1-18-21(23-13-12-22-18)25-15-14-24(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20;/h2-13H,14-17H2,1H3;1H
InChIKeyAYLGQWFTXICBLO-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.29
Rot. Bonds8

About N,N-dibenzyl-2-(3-methylpyrazin-2-yl)oxyethanamine;hydrochloride

N,N-dibenzyl-2-(3-methylpyrazin-2-yl)oxyethanamine;hydrochloride (PubChem CID 70618681) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is N,N-dibenzyl-2-(3-methylpyrazin-2-yl)oxyethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dibenzyl-2-(3-methylpyrazin-2-yl)oxyethanamine;hydrochloride
PubChem CID70618681
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC NameN,N-dibenzyl-2-(3-methylpyrazin-2-yl)oxyethanamine;hydrochloride
SMILESCc1nccnc1OCCN(Cc1ccccc1)Cc1ccccc1.Cl
InChIInChI=1S/C21H23N3O.ClH/c1-18-21(23-13-12-22-18)25-15-14-24(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20;/h2-13H,14-17H2,1H3;1H
InChIKeyAYLGQWFTXICBLO-UHFFFAOYSA-N
XLogP4.29
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-(3-methylpyrazin-2-yl)oxyethanamine;hydrochloride?
The IUPAC name of N,N-dibenzyl-2-(3-methylpyrazin-2-yl)oxyethanamine;hydrochloride (CID 70618681) is N,N-dibenzyl-2-(3-methylpyrazin-2-yl)oxyethanamine;hydrochloride.
What is the SMILES notation for N,N-dibenzyl-2-(3-methylpyrazin-2-yl)oxyethanamine;hydrochloride?
The canonical SMILES for N,N-dibenzyl-2-(3-methylpyrazin-2-yl)oxyethanamine;hydrochloride is Cc1nccnc1OCCN(Cc1ccccc1)Cc1ccccc1.Cl.
What is the InChIKey of N,N-dibenzyl-2-(3-methylpyrazin-2-yl)oxyethanamine;hydrochloride?
The InChIKey is AYLGQWFTXICBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O.ClH/c1-18-21(23-13-12-22-18)25-15-14-24(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20;/h2-13H,14-17H2,1H3;1H.
What are the key properties of N,N-dibenzyl-2-(3-methylpyrazin-2-yl)oxyethanamine;hydrochloride?
N,N-dibenzyl-2-(3-methylpyrazin-2-yl)oxyethanamine;hydrochloride has a molecular weight of 369.90 g/mol, XLogP of 4.29, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-(3-methylpyrazin-2-yl)oxyethanamine;hydrochloride is sourced from PubChem (CID 70618681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).