CID 29798489
PubChem CID
29798489
Structure
Molecular Formula
Status
Non-live
Molecular Weight
240.36 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
[(1R)-1-(4-phenylphenyl)ethyl]-propan-2-ylazanium
InChI=1S/C17H21N/c1-13(2)18-14(3)15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-14,18H,1-3H3/p+1/t14-/m1/s1
CBDQMAFZDZNRNB-CQSZACIVSA-O
C[C@H](C1=CC=C(C=C1)C2=CC=CC=C2)[NH2+]C(C)C
C17H22N+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
240.36 g/mol
Property Name
XLogP3-AA
Property Value
4.1
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
0
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
240.175224706 g/mol
Property Name
Monoisotopic Mass
Property Value
240.175224706 g/mol
Property Name
Topological Polar Surface Area
Property Value
16.6 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
222
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