(1R Trans)-2-(3,4-difluorophenyl)cyclopropane amine

C₉H₁₀ClF₂NCAS 1156491-10-9205.63 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₉H₁₀ClF₂N
Molar mass: 205.63 g/mol
Exact mass: 205.0470 Da
logP: 2.20Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Stereocentres: S, Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1156491-10-9

SMILES

C1[C@H]([C@@H]1N)C2=CC(=C(C=C2)F)F.Cl

InChIKey

IMYLOCHFFLYHPS-RDNZEXAOSA-N

InChI

InChI=1S/C9H9F2N.ClH/c10-7-2-1-5(3-8(7)11)6-4-9(6)12;/h1-3,6,9H,4,12H2;1H/t6-,9+;/m0./s1

Weigh it out

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

Work with (1R Trans)-2-(3,4-difluorophenyl)cyclopropane amine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine220352-38-5Free base Benzeneacetic acid, α-hydroxy-, (αR)-(1R,2S)-compd. with 2-(3,4-difluorophenyl)cyclopropanamine (1:1)376608-71-8Salt Cyclopropanamine,2-(3,4-difluorophenyl)-(1R,2S) -(2R,3R)-2,3-dihydroxybutanedioate (1:1)220352-39-6Salt

Similar compounds

(S)-1-(3,4-Difluorophenyl)ethanamine321318-17-647 % similar (1R,2R)-2-(3,4-Difluorophenyl)cyclopropane-1-carboxamide1006376-62-045 % similar (1R,2R)-2-(3,4-Difluorophenyl)cyclopropanecarboxylic acid220352-36-345 % similar Tranylcypromine155-09-944 % similar (2S)-2-(3,4-Difluorophenyl)oxirane1006376-63-143 % similar 3,4-Difluorophenylhydrazine hydrochloride40594-37-441 % similar 3,4-Difluorophenylhydrazine hydrochloride875664-54-341 % similar (alphaS)-alpha-(Chloromethyl)-3,4-difluorobenzenemethanol1006376-60-840 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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