CID 51869224
PubChem CID
51869224
Structure
Molecular Formula
Status
Non-live
Molecular Weight
285.36 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
[3-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylazanium
InChI=1S/C17H20N2O2/c1-12-6-13(2)8-15(7-12)19-17(20)11-21-16-5-3-4-14(9-16)10-18/h3-9H,10-11,18H2,1-2H3,(H,19,20)/p+1
WMJGEJSXHFTAOL-UHFFFAOYSA-O
CC1=CC(=CC(=C1)NC(=O)COC2=CC=CC(=C2)C[NH3+])C
C17H21N2O2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
285.36 g/mol
Property Name
XLogP3-AA
Property Value
2.4
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
285.160302917 g/mol
Property Name
Monoisotopic Mass
Property Value
285.160302917 g/mol
Property Name
Topological Polar Surface Area
Property Value
66 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
325
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
CONTENTS