CID 25721139
PubChem CID
25721139
Structure
Molecular Formula
Status
Non-live
Molecular Weight
243.32 g/mol
Dates
- Create:2009-05-27
Chemical Structure Depiction
2-(4-methoxyphenyl)ethyl-(pyridin-3-ylmethyl)azanium
InChI=1S/C15H18N2O/c1-18-15-6-4-13(5-7-15)8-10-17-12-14-3-2-9-16-11-14/h2-7,9,11,17H,8,10,12H2,1H3/p+1
MOCOZJJPWANIRR-UHFFFAOYSA-O
COC1=CC=C(C=C1)CC[NH2+]CC2=CN=CC=C2
C15H19N2O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
243.32 g/mol
Property Name
XLogP3
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
215
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
Old substance
Old substance
Old substance
CONTENTS