(R)-1-[3-(Trifluoromethyl)phenyl]ethylamine

C₉H₁₀F₃NCAS 127852-30-6189.18 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine

Properties

Molecular formula: C₉H₁₀F₃N
Molar mass: 189.18 g/mol
Exact mass: 189.0765 Da
logP: 2.73Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

127852-30-6

SMILES

C[C@H](C1=CC(=CC=C1)C(F)(F)F)N

InChIKey

ODZXRBRYQGYVJY-ZCFIWIBFSA-N

InChI

InChI=1S/C9H10F3N/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-6H,13H2,1H3/t6-/m1/s1

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Names and synonyms

1 names

(1R)-1-[3-(Trifluoromethyl)phenyl]ethanamine

Work with (R)-1-[3-(Trifluoromethyl)phenyl]ethylamine

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

(S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethanamine127733-40-868 % similar 3,5-Bis(trifluoromethyl)benzene402-31-352 % similar 3-Methoxy-α-methylbenzenemethanamine62409-13-649 % similar (αS)-3-Methoxy-α-methylbenzenemethanamine82796-69-849 % similar (R)-1-(3-Methoxyphenyl)ethylamine88196-70-749 % similar (+)-Phenylethylamine3886-69-948 % similar 1-Phenylethylamine98-84-048 % similar 1-Methyl-3-(trifluoromethyl)benzene401-79-647 % similar

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

Same formula

2-(3-Trifluoromethylphenyl)ethylamine52516-30-0 2-(Trifluoromethyl)benzeneethanamine774-18-5

Elsewhere

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