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

C13H20N2O2CAS 108467-99-8236.31 g/mol

Open in Covalent MOL file
OONHH2N
CarbamatePrimary 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 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

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

tert-Butyl 3-aminobenzylcarbamate147291-66-572 % similar 3-(Aminomethyl)-1-N-boc-aniline205318-52-168 % similar Boc-3-aminomethylbenzoic acid117445-22-464 % similar tert-Butyl N-[(4-aminophenyl)methyl]carbamate94838-55-859 % similar tert-Butyl N-(4-(aminomethyl)phenyl)carbamate220298-96-456 % similar 4-[(tert-Butoxycarbonylamino)methyl]benzoic acid33233-67-952 % similar 4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid489446-42-652 % similar tert-Butyl [(5-(aminomethyl)pyridin-2-yl]carbamate187237-37-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(N-Boc-aminomethyl)-4-(aminomethyl)benzene108468-00-4 2-((1S,2S)-1-Ethyl-2-(phenylmethoxy)propyl)hydrazinecarboxaldehyde170985-85-0 (±)-Dropropizine17692-31-8 N-[3-(Diethylamino)-4-methoxyphenyl]acetamide19433-93-3 Procaine59-46-1 tert-Butyl 4-aminophenethylcarbamate94838-59-2 (R)-(+)-Dropropizine99291-24-4 Levodropropizine99291-25-5

Elsewhere

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