CID 45126036
PubChem CID
45126036
Structure
Molecular Formula
Status
Non-live
Molecular Weight
349.9 g/mol
Dates
- Create:2010-04-23
Chemical Structure Depiction
1-(1-phenylethylamino)-3-(2,3,5-trimethylphenoxy)propan-2-ol;hydrochloride
InChI=1S/C20H27NO2.ClH/c1-14-10-15(2)16(3)20(11-14)23-13-19(22)12-21-17(4)18-8-6-5-7-9-18;/h5-11,17,19,21-22H,12-13H2,1-4H3;1H
UHNMNOFLULJTNG-UHFFFAOYSA-N
CC1=CC(=C(C(=C1)OCC(CNC(C)C2=CC=CC=C2)O)C)C.Cl
C20H28ClNO2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
349.9 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
349.1808568 g/mol
Property Name
Monoisotopic Mass
Property Value
349.1808568 g/mol
Property Name
Topological Polar Surface Area
Property Value
41.5 A^2
Property Name
Heavy Atom Count
Property Value
24
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
330
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
2
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
2
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS