chempirical

3-(Trifluoromethoxy)benzylamine

C8H8F3NOCAS 93071-75-1191.15 g/mol

Open in Covalent MOL file
OFFFNH2
Alkyl halideEtherPrimary amine

Properties

Molecular formula
C8H8F3NO
Molar mass
191.15 g/mol
Exact mass
191.0558 Da
logP
2.04Crippen estimate
Polar surface area
35.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
93071-75-1
SMILES
C1=CC(=CC(=C1)OC(F)(F)F)CN
InChIKey
TUPUHSXMDIWJQT-UHFFFAOYSA-N
InChI
InChI=1S/C8H8F3NO/c9-8(10,11)13-7-3-1-2-6(4-7)5-12/h1-4H,5,12H2

Weigh it out

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Work with 3-(Trifluoromethoxy)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

1-(Bromomethyl)-3-(trifluoromethoxy)benzene159689-88-065 % similar 3-(Trifluoromethoxy)benzyl alcohol50823-90-065 % similar 4-(Trifluoromethoxy)benzylamine93919-56-363 % similar 2-(3-(Trifluoromethoxy)phenyl)acetonitrile108307-56-859 % similar 3-(Trifluoromethoxy)phenylacetic Acid203302-97-056 % similar 3-(Trifluoromethoxy)aniline1535-73-556 % similar 3-Methoxybenzylamine5071-96-556 % similar 3-(Trifluoromethoxy)fluorobenzene1077-01-655 % similar

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

Same formula

(2-(Trifluoromethoxy)phenyl)methanamine175205-64-8 N-Methyl-2-(trifluoromethoxy)aniline175278-04-3 5-(Trifluoromethyl)-m-anisidine349-55-3 2-Methoxy-5-(trifluoromethyl)aniline349-65-5 5-Amino-2-methoxybenzotrifluoride393-15-7 N-Methyl-4-(trifluoromethoxy)aniline41419-59-4 4-Methoxy-2-(trifluoromethyl)aniline53903-49-4 2-Methyl-4-(trifluoromethoxy)aniline86256-59-9

Elsewhere

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