N-[[4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]phenyl]methyl]ethanamine

C17H26N2O — CID 62434772

IUPACN-[[4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCCN2CC3CCC2C3)cc1
InChIInChI=1S/C17H26N2O/c1-2-18-12-14-4-7-17(8-5-14)20-10-9-19-13-15-3-6-16(19)11-15/h4-5,7-8,15-16,18H,2-3,6,9-13H2,1H3
InChIKeyJSBQISAYZOKBPQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.66
Rot. Bonds7

About N-[[4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]phenyl]methyl]ethanamine

N-[[4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]phenyl]methyl]ethanamine (PubChem CID 62434772) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]phenyl]methyl]ethanamine
PubChem CID62434772
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[[4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCCN2CC3CCC2C3)cc1
InChIInChI=1S/C17H26N2O/c1-2-18-12-14-4-7-17(8-5-14)20-10-9-19-13-15-3-6-16(19)11-15/h4-5,7-8,15-16,18H,2-3,6,9-13H2,1H3
InChIKeyJSBQISAYZOKBPQ-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]phenyl]methyl]ethanamine 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-[[4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]phenyl]methyl]ethanamine (CID 62434772) is N-[[4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]phenyl]methyl]ethanamine is CCNCc1ccc(OCCN2CC3CCC2C3)cc1.
What is the InChIKey of N-[[4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]phenyl]methyl]ethanamine?
The InChIKey is JSBQISAYZOKBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-18-12-14-4-7-17(8-5-14)20-10-9-19-13-15-3-6-16(19)11-15/h4-5,7-8,15-16,18H,2-3,6,9-13H2,1H3.
What are the key properties of N-[[4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]phenyl]methyl]ethanamine?
N-[[4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]phenyl]methyl]ethanamine has a molecular weight of 274.41 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 62434772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).