CID 39387671
PubChem CID
39387671
Structure
Molecular Formula
Status
Non-live
Molecular Weight
286.37 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
(2S)-2-(4-methoxy-3-methylphenyl)-1-(pyridin-2-ylmethylamino)propan-2-ol
InChI=1S/C17H22N2O2/c1-13-10-14(7-8-16(13)21-3)17(2,20)12-18-11-15-6-4-5-9-19-15/h4-10,18,20H,11-12H2,1-3H3/t17-/m1/s1
GIBVGIIGVDSISQ-QGZVFWFLSA-N
CC1=C(C=CC(=C1)[C@@](C)(CNCC2=CC=CC=N2)O)OC
C17H22N2O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
286.37 g/mol
Property Name
XLogP3-AA
Property Value
1.6
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
286.168127949 g/mol
Property Name
Monoisotopic Mass
Property Value
286.168127949 g/mol
Property Name
Topological Polar Surface Area
Property Value
54.4 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
313
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