CID 39382117
PubChem CID
39382117
Structure
Molecular Formula
Status
Non-live
Molecular Weight
283.39 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
2-(dimethylamino)ethyl-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]azanium
InChI=1S/C15H26N2O3/c1-17(2)8-7-16-12-13-5-6-14(19-4)15(11-13)20-10-9-18-3/h5-6,11,16H,7-10,12H2,1-4H3/p+1
DTUKPSJTMBYMHC-UHFFFAOYSA-O
CN(C)CC[NH2+]CC1=CC(=C(C=C1)OC)OCCOC
C15H27N2O3+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
283.39 g/mol
Property Name
XLogP3-AA
Property Value
1.1
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
10
Property Name
Exact Mass
Property Value
283.20216773 g/mol
Property Name
Monoisotopic Mass
Property Value
283.20216773 g/mol
Property Name
Topological Polar Surface Area
Property Value
47.5 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
239
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