chempirical

5-Amino-2-methoxybenzotrifluoride

C8H8F3NOCAS 393-15-7191.15 g/mol

Open in Covalent MOL file
ONH2FFF
Alkyl halideEtherPrimary amine

Properties

Molecular formula
C8H8F3NO
Molar mass
191.15 g/mol
Exact mass
191.0558 Da
logP
2.30Crippen estimate
Polar surface area
35.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

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
393-15-7
SMILES
COC1=C(C=C(C=C1)N)C(F)(F)F
InChIKey
CQJCPOVTPNWVBW-UHFFFAOYSA-N
InChI
InChI=1S/C8H8F3NO/c1-13-7-3-2-5(12)4-6(7)8(9,10)11/h2-4H,12H2,1H3

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Work with 5-Amino-2-methoxybenzotrifluoride

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

4,4'-Oxybis[3-(trifluoromethyl)aniline]344-48-971 % similar 4,4′-[1,4-Phenylenebis(oxy)]bis[3-(trifluoromethyl)benzenamine]94525-05-065 % similar 4-Bromo-1-methoxy-2-(trifluoromethyl)benzene1514-11-060 % similar 2-(Trifluoromethyl)benzene-1,4-diamine364-13-659 % similar 3,4-Dimethoxyaniline6315-89-558 % similar 2,2'-Bis(trifluoromethyl)benzidine341-58-256 % similar 2,4-Diaminoanisole615-05-456 % similar 3-Fluoro-4-methoxyaniline366-99-456 % similar

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

Same formula

2-(Trifluoromethoxy)benzenemethanamine175205-64-8 N-Methyl-2-(trifluoromethoxy)aniline175278-04-3 3-Methoxy-5-(trifluoromethyl)aniline349-55-3 2-Methoxy-5-(trifluoromethyl)aniline349-65-5 N-Methyl-4-(trifluoromethoxy)aniline41419-59-4 4-Methoxy-2-(trifluoromethyl)aniline53903-49-4 2-Methyl-4-(trifluoromethoxy)aniline86256-59-9 4-(Trifluoromethoxy)benzylamine93919-56-3

Elsewhere

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