tert-Butyl N-((3-(aminomethyl)phenyl)methyl)carbamate

C₁₃H₂₀N₂O₂CAS 108467-99-8236.31 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

108467-99-8

SMILES

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

InChIKey

GQAUPTTUSSLXPS-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

tert-Butyl N-[3-(aminomethyl)benzyl]carbamate

Work with tert-Butyl N-((3-(aminomethyl)phenyl)methyl)carbamate

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 acid117445-22-464 % similar M-Xylylenediamine1477-55-043 % similar tert-Butyl N-((2R)-1-hydroxy-3-phenylpropan-2-yl)carbamate106454-69-742 % similar 1,7-Bis-boc-1,4,7-triazaheptane117499-16-842 % similar N-Boc-1,3-diaminopropane hydrochloride127346-48-942 % similar tert-Butyl [2-(2-aminoethoxy)ethyl]carbamate127828-22-242 % similar Boc-3-methyl-L-phenylalanine114873-06-241 % similar (R)-2-((tert-Butoxycarbonyl)amino)-3-(m-tolyl)propanoic acid114873-14-241 % similar

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

Same formula

1-(N-Boc-aminomethyl)-4-(aminomethyl)benzene108468-00-4 (±)-Dropropizine17692-31-8 N-[3-(Diethylamino)-4-methoxyphenyl]acetamide19433-93-3 Procaine59-46-1 Levodropropizine99291-25-5

Elsewhere

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