CID 51663821
PubChem CID
51663821
Structure
Molecular Formula
Status
Non-live
Molecular Weight
286.4 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
ethyl-[[3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]azanium
InChI=1S/C18H23NO2/c1-4-19-12-15-10-7-11-17(20-3)18(15)21-13-16-9-6-5-8-14(16)2/h5-11,19H,4,12-13H2,1-3H3/p+1
PNVRPQXLLSJLOJ-UHFFFAOYSA-O
CC[NH2+]CC1=C(C(=CC=C1)OC)OCC2=CC=CC=C2C
C18H24NO2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
286.4 g/mol
Property Name
XLogP3-AA
Property Value
3.5
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
286.180704008 g/mol
Property Name
Monoisotopic Mass
Property Value
286.180704008 g/mol
Property Name
Topological Polar Surface Area
Property Value
35.1 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
284
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