CID 39346638
PubChem CID
39346638
Structure
Molecular Formula
Status
Non-live
Molecular Weight
243.32 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
2-(4-methylphenoxy)ethyl-(pyridin-4-ylmethyl)azanium
InChI=1S/C15H18N2O/c1-13-2-4-15(5-3-13)18-11-10-17-12-14-6-8-16-9-7-14/h2-9,17H,10-12H2,1H3/p+1
ZMIZZBDUQDBRCL-UHFFFAOYSA-O
CC1=CC=C(C=C1)OCC[NH2+]CC2=CC=NC=C2
C15H19N2O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
243.32 g/mol
Property Name
XLogP3-AA
Property Value
2.3
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
6
Property Name
Exact Mass
Property Value
243.149738234 g/mol
Property Name
Monoisotopic Mass
Property Value
243.149738234 g/mol
Property Name
Topological Polar Surface Area
Property Value
38.7 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
209
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