chempirical

2C-I

C10H14INO2CAS 69587-11-7307.13 g/mol

Open in Covalent MOL file
ONH2OI
Aryl halideEtherPrimary amine

Properties

Molecular formula
C10H14INO2
Molar mass
307.13 g/mol
Exact mass
307.0069 Da
logP
1.81Crippen estimate
Polar surface area
44.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
69587-11-7
SMILES
COc1cc(CCN)c(OC)cc1I
InChIKey
PQHQBRJAAZQXHL-UHFFFAOYSA-N
InChI
InChI=1S/C10H14INO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • Benzeneethanamine, 4-iodo-2,5-dimethoxy-
  • 4-Iodo-2,5-dimethoxybenzeneethanamine
  • 2,5-Dimethoxy-4-iodophenethylamine
  • 4-Iodo-2,5-dimethoxyphenethylamine
  • 4-Iodo-2,5-dimethoxy-β-phenethylamine
  • 2-(4-Iodo-2,5-dimethoxyphenyl)ethan-1-amine

Work with 2C-I

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

4-Bromo-2,5-dimethoxyphenethylamine66142-81-261 % similar 2C-T-2207740-24-755 % similar 2C-H3600-86-054 % similar 2C-T-7207740-26-952 % similar 2-Methoxyphenethylamine2045-79-650 % similar 2,3-Dimethoxyphenethylamine3213-29-446 % similar 3,4-Dimethoxyphenethylamine120-20-745 % similar 3-Iodo-4-methoxybenzenamine74587-12-542 % similar

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

Elsewhere

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