chempirical

2-Amino-5-isopropylbenzotrifluoride

C10H12F3NCAS 87617-29-6203.21 g/mol

Open in Covalent MOL file
NH2FFF
Alkyl halidePrimary amine

Properties

Molecular formula
C10H12F3N
Molar mass
203.21 g/mol
Exact mass
203.0922 Da
logP
3.41Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
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
87617-29-6
SMILES
CC(C)C1=CC(=C(C=C1)N)C(F)(F)F
InChIKey
ZFHAHXSEZUPPNM-UHFFFAOYSA-N
InChI
InChI=1S/C10H12F3N/c1-6(2)7-3-4-9(14)8(5-7)10(11,12)13/h3-6H,14H2,1-2H3

Weigh it out

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

Work with 2-Amino-5-isopropylbenzotrifluoride

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

3,3'-Bis(trifluoromethyl)benzidine346-88-356 % similar 2-Amino-5-methylbenzotrifluoride87617-23-056 % similar 2-(Trifluoromethyl)benzene-1,4-diamine364-13-655 % similar 2,4-Bis(trifluoromethyl)aniline367-71-555 % similar 4-Fluoro-2-(trifluoromethyl)aniline393-39-553 % similar 4-Methoxy-2-(trifluoromethyl)aniline53903-49-453 % similar 4-Bromo-2-(trifluoromethyl)aniline445-02-351 % similar 2-Trifluoromethyl-4-chloroaniline445-03-451 % similar

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

Elsewhere

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