CID 29780714
PubChem CID
29780714
Structure
Molecular Formula
Status
Non-live
Molecular Weight
263.74 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
N-[(1R)-1-(3-chlorophenyl)ethyl]-5-fluoro-2-methylaniline
InChI=1S/C15H15ClFN/c1-10-6-7-14(17)9-15(10)18-11(2)12-4-3-5-13(16)8-12/h3-9,11,18H,1-2H3/t11-/m1/s1
YRXIWXUHQCLLBW-LLVKDONJSA-N
CC1=C(C=C(C=C1)F)N[C@H](C)C2=CC(=CC=C2)Cl
C15H15ClFN
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
263.74 g/mol
Property Name
XLogP3-AA
Property Value
4.9
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
263.0877053 g/mol
Property Name
Monoisotopic Mass
Property Value
263.0877053 g/mol
Property Name
Topological Polar Surface Area
Property Value
12 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
261
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