CID 39422559
PubChem CID
39422559
Structure
Molecular Formula
Status
Non-live
Molecular Weight
300.4 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
[3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl-propylazanium
InChI=1S/C19H25NO2/c1-4-12-20-13-16-10-7-11-18(21-3)19(16)22-14-17-9-6-5-8-15(17)2/h5-11,20H,4,12-14H2,1-3H3/p+1
XRLQWYXUKSZLPF-UHFFFAOYSA-O
CCC[NH2+]CC1=C(C(=CC=C1)OC)OCC2=CC=CC=C2C
C19H26NO2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
300.4 g/mol
Property Name
XLogP3-AA
Property Value
4
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
8
Property Name
Exact Mass
Property Value
300.196354072 g/mol
Property Name
Monoisotopic Mass
Property Value
300.196354072 g/mol
Property Name
Topological Polar Surface Area
Property Value
35.1 A^2
Property Name
Heavy Atom Count
Property Value
22
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
297
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
CONTENTS