CID 29774804
PubChem CID
29774804
Structure
Molecular Formula
Status
Non-live
Molecular Weight
253.81 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
5-chloro-2-methyl-N-[(3S,5R)-5-methylheptan-3-yl]aniline
InChI=1S/C15H24ClN/c1-5-11(3)9-14(6-2)17-15-10-13(16)8-7-12(15)4/h7-8,10-11,14,17H,5-6,9H2,1-4H3/t11-,14+/m1/s1
JRFGFNIRLFPRJC-RISCZKNCSA-N
CC[C@@H](C)C[C@H](CC)NC1=C(C=CC(=C1)Cl)C
C15H24ClN
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
253.81 g/mol
Property Name
XLogP3-AA
Property Value
6.1
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
253.1597275 g/mol
Property Name
Monoisotopic Mass
Property Value
253.1597275 g/mol
Property Name
Topological Polar Surface Area
Property Value
12 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
207
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