CID 39369709
PubChem CID
39369709
Structure
Molecular Formula
Status
Non-live
Molecular Weight
270.37 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
(2S)-2-(3,4-dimethylphenyl)-1-(pyridin-2-ylmethylamino)propan-2-ol
InChI=1S/C17H22N2O/c1-13-7-8-15(10-14(13)2)17(3,20)12-18-11-16-6-4-5-9-19-16/h4-10,18,20H,11-12H2,1-3H3/t17-/m1/s1
TVQJLGRGNQYFBE-QGZVFWFLSA-N
CC1=C(C=C(C=C1)[C@@](C)(CNCC2=CC=CC=N2)O)C
C17H22N2O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
270.37 g/mol
Property Name
XLogP3-AA
Property Value
2
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
270.173213330 g/mol
Property Name
Monoisotopic Mass
Property Value
270.173213330 g/mol
Property Name
Topological Polar Surface Area
Property Value
45.2 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
297
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
Old substance
CONTENTS