CID 39349008
PubChem CID
39349008
Structure
Molecular Formula
Status
Non-live
Molecular Weight
271.38 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]-(pyridin-3-ylmethyl)azanium
InChI=1S/C17H22N2O/c1-13(2)17(15-6-8-16(20-3)9-7-15)19-12-14-5-4-10-18-11-14/h4-11,13,17,19H,12H2,1-3H3/p+1/t17-/m0/s1
CMZRPAFWHBYWIY-KRWDZBQOSA-O
CC(C)[C@@H](C1=CC=C(C=C1)OC)[NH2+]CC2=CN=CC=C2
C17H23N2O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
271.38 g/mol
Property Name
XLogP3-AA
Property Value
3.1
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
271.181038361 g/mol
Property Name
Monoisotopic Mass
Property Value
271.181038361 g/mol
Property Name
Topological Polar Surface Area
Property Value
38.7 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
262
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