CID 96024088
PubChem CID
96024088
Structure
Molecular Formula
Status
Non-live
Molecular Weight
278.4 g/mol
Dates
- Create:2015-12-11
Chemical Structure Depiction
(1S)-1-[(2S)-2,3-dihydro-1H-indol-2-yl]-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
InChI=1S/C19H22N2/c1-12-9-14-7-8-20-19(16(14)10-13(12)2)18-11-15-5-3-4-6-17(15)21-18/h3-6,9-10,18-21H,7-8,11H2,1-2H3/t18-,19-/m0/s1
GSPLJBYJCGOOBQ-OALUTQOASA-N
CC1=CC2=C(C=C1C)[C@H](NCC2)[C@@H]3CC4=CC=CC=C4N3
C19H22N2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
278.4 g/mol
Property Name
XLogP3-AA
Property Value
3.9
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
1
Property Name
Exact Mass
Property Value
278.178298710 g/mol
Property Name
Monoisotopic Mass
Property Value
278.178298710 g/mol
Property Name
Topological Polar Surface Area
Property Value
24.1 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
369
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
2
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