1-(N-Boc-aminomethyl)-4-(aminomethyl)benzene

C₁₃H₂₀N₂O₂CAS 108468-00-4236.31 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₁₃H₂₀N₂O₂
Molar mass: 236.31 g/mol
Exact mass: 236.1525 Da
logP: 2.17Crippen estimate
Polar surface area: 64.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Identifiers

CAS number

108468-00-4

SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)CN

InChIKey

NUANLVJLUYWSER-UHFFFAOYSA-N

InChI

InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15-9-11-6-4-10(8-14)5-7-11/h4-7H,8-9,14H2,1-3H3,(H,15,16)

Weigh it out

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

Work with 1-(N-Boc-aminomethyl)-4-(aminomethyl)benzene

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

Boc-3-aminomethylbenzoic acid117445-22-452 % similar 1,7-Bis-boc-1,4,7-triazaheptane117499-16-846 % similar N-Boc-1,3-diaminopropane hydrochloride127346-48-945 % similar tert-Butyl [2-(2-aminoethoxy)ethyl]carbamate127828-22-245 % similar N-(tert-Butoxycarbonyl)-N'-methylethylenediamine122734-32-144 % similar tert-Butyl (4-aminophenyl)carbamate71026-66-943 % similar N-Boc-(R)-1-amino-2-propanol119768-44-441 % similar tert-Butyl N-((2R)-1-hydroxy-3-phenylpropan-2-yl)carbamate106454-69-740 % similar

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

Same formula

tert-Butyl N-((3-(aminomethyl)phenyl)methyl)carbamate108467-99-8 (±)-Dropropizine17692-31-8 N-[3-(Diethylamino)-4-methoxyphenyl]acetamide19433-93-3 Procaine59-46-1 Levodropropizine99291-25-5

Elsewhere

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