CID 39360639
PubChem CID
39360639
Structure
Molecular Formula
Status
Non-live
Molecular Weight
260.31 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
(2S)-2-(4-fluorophenyl)-1-(pyridin-2-ylmethylamino)propan-2-ol
InChI=1S/C15H17FN2O/c1-15(19,12-5-7-13(16)8-6-12)11-17-10-14-4-2-3-9-18-14/h2-9,17,19H,10-11H2,1H3/t15-/m1/s1
WHWJPMDVYVHLEV-OAHLLOKOSA-N
C[C@@](CNCC1=CC=CC=N1)(C2=CC=C(C=C2)F)O
C15H17FN2O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
260.31 g/mol
Property Name
XLogP3-AA
Property Value
1.4
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
260.13249133 g/mol
Property Name
Monoisotopic Mass
Property Value
260.13249133 g/mol
Property Name
Topological Polar Surface Area
Property Value
45.2 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
269
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