2-(Difluoromethoxy)benzylamine

C₈H₉F₂NOCAS 243863-36-7173.16 g/mol

Open in Covalent MOL file

Alkyl halide Ether Primary amine

Properties

Molecular formula: C₈H₉F₂NO
Molar mass: 173.16 g/mol
Exact mass: 173.0652 Da
logP: 1.75Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Danger

H314 Causes severe skin burns and eye damage70% of notifiers
H315 Causes skin irritation30% of notifiers
H318 Causes serious eye damage10% of notifiers
H319 Causes serious eye irritation30% of notifiers
H335 May cause respiratory irritation30% of notifiers

Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

243863-36-7

SMILES

C1=CC=C(C(=C1)CN)OC(F)F

InChIKey

GGXXUJUQXAOYPK-UHFFFAOYSA-N

InChI

InChI=1S/C8H9F2NO/c9-8(10)12-7-4-2-1-3-6(7)5-11/h1-4,8H,5,11H2

Weigh it out

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

Work with 2-(Difluoromethoxy)benzylamine

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

(2-(Difluoromethoxy)phenyl)methanol72768-94-663 % similar 2-(Difluoromethoxy)benzyl bromide85684-64-663 % similar 2-(Difluoromethoxy)phenylacetonitrile41429-22-559 % similar 1-Bromo-2-(difluoromethoxy)benzene175278-33-855 % similar 2-(Difluoromethoxy)aniline22236-04-053 % similar 2-Methoxybenzylamine6850-57-353 % similar 2-(Trifluoromethoxy)benzenemethanamine175205-64-853 % similar 2-Ethoxybenzenemethanamine37806-29-450 % similar

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

Same formula

4-(Difluoromethoxy)benzylamine177842-14-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook