Synonyms:
Status: Approved (1987)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: C2A5X08042

Structure

InChI Key ISEHJSHTIVKELA-UHFFFAOYSA-N
Smile CC(C)NC(C)Cc1ccc(I)cc1
InChI
InChI=1S/C12H18IN/c1-9(2)14-10(3)8-11-4-6-12(13)7-5-11/h4-7,9-10,14H,8H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H18IN
Molecular Weight 303.19
AlogP 3.22
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 12.03
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 14.0

Cross References

Resources Reference
ChEMBL CHEMBL1201308
EPA CompTox DTXSID3048443
FDA SRS C2A5X08042
PubChem 3729
SureChEMBL SCHEMBL1534301