N,N-dibenzyl-2-(oxan-2-yloxy)ethanamine

C21H27NO2 — CID 10805999

IUPACN,N-dibenzyl-2-(oxan-2-yloxy)ethanamine
SMILESc1ccc(CN(CCOC2CCCCO2)Cc2ccccc2)cc1
InChIInChI=1S/C21H27NO2/c1-3-9-19(10-4-1)17-22(18-20-11-5-2-6-12-20)14-16-24-21-13-7-8-15-23-21/h1-6,9-12,21H,7-8,13-18H2
InChIKeyUQQHXMKTIFUUHG-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.23
Rot. Bonds8

About N,N-dibenzyl-2-(oxan-2-yloxy)ethanamine

N,N-dibenzyl-2-(oxan-2-yloxy)ethanamine (PubChem CID 10805999) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N,N-dibenzyl-2-(oxan-2-yloxy)ethanamine.

Molecular Properties

Compound NameN,N-dibenzyl-2-(oxan-2-yloxy)ethanamine
PubChem CID10805999
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN,N-dibenzyl-2-(oxan-2-yloxy)ethanamine
SMILESc1ccc(CN(CCOC2CCCCO2)Cc2ccccc2)cc1
InChIInChI=1S/C21H27NO2/c1-3-9-19(10-4-1)17-22(18-20-11-5-2-6-12-20)14-16-24-21-13-7-8-15-23-21/h1-6,9-12,21H,7-8,13-18H2
InChIKeyUQQHXMKTIFUUHG-UHFFFAOYSA-N
XLogP4.23
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-(oxan-2-yloxy)ethanamine?
The IUPAC name of N,N-dibenzyl-2-(oxan-2-yloxy)ethanamine (CID 10805999) is N,N-dibenzyl-2-(oxan-2-yloxy)ethanamine.
What is the SMILES notation for N,N-dibenzyl-2-(oxan-2-yloxy)ethanamine?
The canonical SMILES for N,N-dibenzyl-2-(oxan-2-yloxy)ethanamine is c1ccc(CN(CCOC2CCCCO2)Cc2ccccc2)cc1.
What is the InChIKey of N,N-dibenzyl-2-(oxan-2-yloxy)ethanamine?
The InChIKey is UQQHXMKTIFUUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-3-9-19(10-4-1)17-22(18-20-11-5-2-6-12-20)14-16-24-21-13-7-8-15-23-21/h1-6,9-12,21H,7-8,13-18H2.
What are the key properties of N,N-dibenzyl-2-(oxan-2-yloxy)ethanamine?
N,N-dibenzyl-2-(oxan-2-yloxy)ethanamine has a molecular weight of 325.45 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-(oxan-2-yloxy)ethanamine is sourced from PubChem (CID 10805999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).