(2-Bromobenzyl)methylamine

C₈H₁₀BrNCAS 698-19-1200.08 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine

Properties

Molecular formula: C₈H₁₀BrN
Molar mass: 200.08 g/mol
Exact mass: 198.9997 Da
logP: 2.17Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H319 Causes serious eye irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number

698-19-1

SMILES

CNCC1=CC=CC=C1Br

InChIKey

TUADRPBKJHMHDH-UHFFFAOYSA-N

InChI

InChI=1S/C8H10BrN/c1-10-6-7-4-2-3-5-8(7)9/h2-5,10H,6H2,1H3

Weigh it out

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

Names and synonyms

1 names

2-Bromo-N-methylbenzylamine

Work with (2-Bromobenzyl)methylamine

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

2-Fluoro-N-methylbenzylamine399-30-455 % similar 2-Chloro-N-methylbenzenemethanamine94-64-455 % similar N-Methyl-1-naphthalenemethanamine14489-75-953 % similar 1-Bromo-2-ethylbenzene1973-22-452 % similar N-Methyl-1-naphthalenemethanamine hydrochloride65473-13-448 % similar N-Methylbenzylamine103-67-348 % similar 2-Bromobenzyl bromide3433-80-548 % similar 2-Bromobenzyl mercaptan143888-85-146 % similar

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

Same formula

(S)-1-(3-Bromophenyl)ethylamine139305-96-7 3-Bromo-N,N-dimethylaniline16518-62-0 (R)-1-(3-Bromophenyl)ethanamine176707-77-0 1-(4-Bromophenyl)ethylamine24358-62-1 4-Bromo-2,6-dimethylbenzenamine24596-19-8 (αS)-4-Bromo-α-methylbenzenemethanamine27298-97-1 4-Bromo-2-methylbenzylamine376646-62-7 2-Bromo-4,6-dimethylbenzenamine41825-73-4

Elsewhere

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