CID 42057459
PubChem CID
42057459
Structure
Molecular Formula
Status
Non-live
Molecular Weight
290.35 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
[(2S)-1-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)propan-2-yl]azanium
InChI=1S/C17H20FNO2/c1-20-16-7-8-17(21-2)13(11-16)10-15(19)9-12-3-5-14(18)6-4-12/h3-8,11,15H,9-10,19H2,1-2H3/p+1/t15-/m0/s1
BYCUPUIPLUCZKI-HNNXBMFYSA-O
COC1=CC(=C(C=C1)OC)C[C@H](CC2=CC=C(C=C2)F)[NH3+]
C17H21FNO2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
290.35 g/mol
Property Name
XLogP3
Property Value
3.4
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
290.15563207 g/mol
Property Name
Monoisotopic Mass
Property Value
290.15563207 g/mol
Property Name
Topological Polar Surface Area
Property Value
46.1 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
295
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