CID 40524420
PubChem CID
40524420
Structure
Molecular Formula
Status
Non-live
Molecular Weight
193.28 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
(2R)-1-anilino-2-methylpentan-2-ol
InChI=1S/C12H19NO/c1-3-9-12(2,14)10-13-11-7-5-4-6-8-11/h4-8,13-14H,3,9-10H2,1-2H3/t12-/m1/s1
FIJVWFFDRPCVTK-GFCCVEGCSA-N
CCC[C@](C)(CNC1=CC=CC=C1)O
C12H19NO
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
193.28 g/mol
Property Name
XLogP3-AA
Property Value
2.7
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
193.146664230 g/mol
Property Name
Monoisotopic Mass
Property Value
193.146664230 g/mol
Property Name
Topological Polar Surface Area
Property Value
32.3 A^2
Property Name
Heavy Atom Count
Property Value
14
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
154
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