CID 39373146
PubChem CID
39373146
Structure
Molecular Formula
Status
Non-live
Molecular Weight
274.33 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
(2R)-2-(4-fluoro-3-methylphenyl)-1-(pyridin-2-ylmethylamino)propan-2-ol
InChI=1S/C16H19FN2O/c1-12-9-13(6-7-15(12)17)16(2,20)11-18-10-14-5-3-4-8-19-14/h3-9,18,20H,10-11H2,1-2H3/t16-/m0/s1
IIXBJQOUIFSUPD-INIZCTEOSA-N
CC1=C(C=CC(=C1)[C@](C)(CNCC2=CC=CC=N2)O)F
C16H19FN2O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
274.33 g/mol
Property Name
XLogP3-AA
Property Value
1.8
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
5
Property Name
Exact Mass
Property Value
274.14814140 g/mol
Property Name
Monoisotopic Mass
Property Value
274.14814140 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
302
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