CID 39384938
PubChem CID
39384938
Structure
Molecular Formula
Status
Non-live
Molecular Weight
284.4 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
(1S)-1-(4-tert-butylphenyl)-2-(pyridin-2-ylmethylamino)ethanol
InChI=1S/C18H24N2O/c1-18(2,3)15-9-7-14(8-10-15)17(21)13-19-12-16-6-4-5-11-20-16/h4-11,17,19,21H,12-13H2,1-3H3/t17-/m1/s1
DEWWUBMEBHFACQ-QGZVFWFLSA-N
CC(C)(C)C1=CC=C(C=C1)[C@@H](CNCC2=CC=CC=N2)O
C18H24N2O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
284.4 g/mol
Property Name
XLogP3-AA
Property Value
2.8
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
284.188863393 g/mol
Property Name
Monoisotopic Mass
Property Value
284.188863393 g/mol
Property Name
Topological Polar Surface Area
Property Value
45.2 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
292
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