2-Amino-5-isopropylbenzotrifluoride

C₁₀H₁₂F₃NCAS 87617-29-6203.21 g/mol

Open in Covalent MOL file

Alkyl halide Primary 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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation20% of notifiers

Aggregated from 5 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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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