N,N-dibenzyl-1-(3-methylpyrazin-2-yl)oxyethanamine;hydrochloride

C21H24ClN3O — CID 70618679

IUPACN,N-dibenzyl-1-(3-methylpyrazin-2-yl)oxyethanamine;hydrochloride
SMILESCc1nccnc1OC(C)N(Cc1ccccc1)Cc1ccccc1.Cl
InChIInChI=1S/C21H23N3O.ClH/c1-17-21(23-14-13-22-17)25-18(2)24(15-19-9-5-3-6-10-19)16-20-11-7-4-8-12-20;/h3-14,18H,15-16H2,1-2H3;1H
InChIKeyBOFIUZMOOYOOOI-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.63
Rot. Bonds7

About N,N-dibenzyl-1-(3-methylpyrazin-2-yl)oxyethanamine;hydrochloride

N,N-dibenzyl-1-(3-methylpyrazin-2-yl)oxyethanamine;hydrochloride (PubChem CID 70618679) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is N,N-dibenzyl-1-(3-methylpyrazin-2-yl)oxyethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dibenzyl-1-(3-methylpyrazin-2-yl)oxyethanamine;hydrochloride
PubChem CID70618679
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC NameN,N-dibenzyl-1-(3-methylpyrazin-2-yl)oxyethanamine;hydrochloride
SMILESCc1nccnc1OC(C)N(Cc1ccccc1)Cc1ccccc1.Cl
InChIInChI=1S/C21H23N3O.ClH/c1-17-21(23-14-13-22-17)25-18(2)24(15-19-9-5-3-6-10-19)16-20-11-7-4-8-12-20;/h3-14,18H,15-16H2,1-2H3;1H
InChIKeyBOFIUZMOOYOOOI-UHFFFAOYSA-N
XLogP4.63
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N,N-dibenzyl-1-(3-methylpyrazin-2-yl)oxyethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-1-(3-methylpyrazin-2-yl)oxyethanamine;hydrochloride?
The IUPAC name of N,N-dibenzyl-1-(3-methylpyrazin-2-yl)oxyethanamine;hydrochloride (CID 70618679) is N,N-dibenzyl-1-(3-methylpyrazin-2-yl)oxyethanamine;hydrochloride.
What is the SMILES notation for N,N-dibenzyl-1-(3-methylpyrazin-2-yl)oxyethanamine;hydrochloride?
The canonical SMILES for N,N-dibenzyl-1-(3-methylpyrazin-2-yl)oxyethanamine;hydrochloride is Cc1nccnc1OC(C)N(Cc1ccccc1)Cc1ccccc1.Cl.
What is the InChIKey of N,N-dibenzyl-1-(3-methylpyrazin-2-yl)oxyethanamine;hydrochloride?
The InChIKey is BOFIUZMOOYOOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O.ClH/c1-17-21(23-14-13-22-17)25-18(2)24(15-19-9-5-3-6-10-19)16-20-11-7-4-8-12-20;/h3-14,18H,15-16H2,1-2H3;1H.
What are the key properties of N,N-dibenzyl-1-(3-methylpyrazin-2-yl)oxyethanamine;hydrochloride?
N,N-dibenzyl-1-(3-methylpyrazin-2-yl)oxyethanamine;hydrochloride has a molecular weight of 369.90 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-1-(3-methylpyrazin-2-yl)oxyethanamine;hydrochloride is sourced from PubChem (CID 70618679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).