chempirical

3-Iodobenzylamine

C7H8INCAS 696-40-2233.05 g/mol

Open in Covalent MOL file
H2NI
Aryl halidePrimary amine

Properties

Molecular formula
C7H8IN
Molar mass
233.05 g/mol
Exact mass
232.9701 Da
Melting point
248–249 °C
Boiling point
132 °C (at 8 Torr)
logP
1.75Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
696-40-2
SMILES
NCc1cccc(I)c1
InChIKey
LQLOGZQVKUNBRX-UHFFFAOYSA-N
InChI
InChI=1S/C7H8IN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Benzenemethanamine, 3-iodo-
  • Benzylamine, m-iodo-
  • 3-Iodobenzenemethanamine
  • m-Iodobenzylamine
  • NSC 96895
  • (3-Iodophenyl)methanamine

Work with 3-Iodobenzylamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

m-Iodobenzylamine hydrochloride3718-88-588 % similar M-Xylylenediamine1477-55-065 % similar (3-Iodophenyl)methanol57455-06-857 % similar 3-Fluorobenzylamine100-82-354 % similar 3-Chlorobenzylamine4152-90-354 % similar 3-Aminobenzylamine4403-70-754 % similar 1,3-Diiodobenzene626-00-652 % similar 3-Methylbenzylamine100-81-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Iodo-2-methylaniline13194-68-8 2-Iodo-5-methylbenzenamine13194-69-9 2-Iodo-4-methylaniline29289-13-2 3-Iodo-4-methylbenzenamine35944-64-0 4-Iodobenzylamine39959-59-6 5-Iodo-2-methylaniline83863-33-6

Elsewhere

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