CID 39358220
PubChem CID
39358220
Structure
Molecular Formula
Status
Non-live
Molecular Weight
257.35 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
2-(2-ethylphenoxy)ethyl-(pyridin-4-ylmethyl)azanium
InChI=1S/C16H20N2O/c1-2-15-5-3-4-6-16(15)19-12-11-18-13-14-7-9-17-10-8-14/h3-10,18H,2,11-13H2,1H3/p+1
LLIHQRRMHZOIJX-UHFFFAOYSA-O
CCC1=CC=CC=C1OCC[NH2+]CC2=CC=NC=C2
C16H21N2O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
257.35 g/mol
Property Name
XLogP3-AA
Property Value
2.7
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
257.165388298 g/mol
Property Name
Monoisotopic Mass
Property Value
257.165388298 g/mol
Property Name
Topological Polar Surface Area
Property Value
38.7 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
229
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS