CID 39371102
PubChem CID
39371102
Structure
Molecular Formula
Status
Non-live
Molecular Weight
272.37 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
[(2R)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-(pyridin-2-ylmethyl)azanium
InChI=1S/C16H21N3O/c1-19(2)15-8-6-13(7-9-15)16(20)12-17-11-14-5-3-4-10-18-14/h3-10,16-17,20H,11-12H2,1-2H3/p+1/t16-/m0/s1
PMYJBUHPNGWNJM-INIZCTEOSA-O
CN(C)C1=CC=C(C=C1)[C@H](C[NH2+]CC2=CC=CC=N2)O
C16H22N3O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
272.37 g/mol
Property Name
XLogP3-AA
Property Value
1.2
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
272.176287334 g/mol
Property Name
Monoisotopic Mass
Property Value
272.176287334 g/mol
Property Name
Topological Polar Surface Area
Property Value
53 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
264
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