CID 28449297
PubChem CID
28449297
Structure
Molecular Formula
Status
Non-live
Molecular Weight
236.37 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
[(1S)-1-(2-ethoxyphenyl)ethyl]-(3-methylbutyl)azanium
InChI=1S/C15H25NO/c1-5-17-15-9-7-6-8-14(15)13(4)16-11-10-12(2)3/h6-9,12-13,16H,5,10-11H2,1-4H3/p+1/t13-/m0/s1
ZEXVLVHSLIXACI-ZDUSSCGKSA-O
CCOC1=CC=CC=C1[C@H](C)[NH2+]CCC(C)C
C15H26NO+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
236.37 g/mol
Property Name
XLogP3-AA
Property Value
3.7
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
236.201439453 g/mol
Property Name
Monoisotopic Mass
Property Value
236.201439453 g/mol
Property Name
Topological Polar Surface Area
Property Value
25.8 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
193
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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