3-(Aminomethyl)-1-N-boc-aniline

C₁₂H₁₈N₂O₂CAS 205318-52-1222.29 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₁₂H₁₈N₂O₂
Molar mass: 222.29 g/mol
Exact mass: 222.1368 Da
logP: 2.49Crippen estimate
Polar surface area: 64.3 Å²
H-bond donors / acceptors: 2 / 3
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

205318-52-1

SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)CN

InChIKey

NXQNEOIMZVWHQW-UHFFFAOYSA-N

InChI

InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-10-6-4-5-9(7-10)8-13/h4-7H,8,13H2,1-3H3,(H,14,15)

Weigh it out

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Work with 3-(Aminomethyl)-1-N-boc-aniline

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

tert-Butyl N-((3-(aminomethyl)phenyl)methyl)carbamate108467-99-868 % similar N-Boc-M-phenylenediamine68621-88-565 % similar t-Butyl carbanilate3422-01-360 % similar Boc-3-aminobenzoic acid111331-82-957 % similar (3-Boc-aminophenyl)boronic acid380430-68-257 % similar tert-Butyl [(5-(aminomethyl)pyridin-2-yl]carbamate187237-37-256 % similar 1-(N-Boc-aminomethyl)-4-(aminomethyl)benzene108468-00-456 % similar tert-Butyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate330793-09-455 % similar

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

Same formula

tert-Butyl 3-aminobenzylcarbamate147291-66-5 1-(2,4-Dimethoxyphenyl)piperazine16015-75-1 tert-Butyl N-(4-(aminomethyl)phenyl)carbamate220298-96-4 Isophorone diisocyanate4098-71-9 4-(2-Morpholin-4-ylethoxy)aniline52481-41-1 1-(3,5-Dimethoxyphenyl)piperazine53557-93-0

Elsewhere

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