N,N-Dimethyl-5-(phenylmethoxy)-1H-indole-3-methanamine

C18H20N2OCAS 1453-97-0280.37 g/mol

Open in Covalent MOL file
NHNO
EtherTertiary amine

Properties

Molecular formula
C18H20N2O
Molar mass
280.37 g/mol
Exact mass
280.1576 Da
Melting point
138 °C
logP
3.81Crippen estimate
Polar surface area
28.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1453-97-0
SMILES
CN(C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIKey
POTVAILTNPOQJH-UHFFFAOYSA-N
InChI
InChI=1S/C18H20N2O/c1-20(2)12-15-11-19-18-9-8-16(10-17(15)18)21-13-14-6-4-3-5-7-14/h3-11,19H,12-13H2,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • 1H-Indole-3-methanamine, N,N-dimethyl-5-(phenylmethoxy)-
  • Indole, 5-(benzyloxy)-3-[(dimethylamino)methyl]-
  • 5-Benzyloxygramine
  • NSC 17819
  • 5-Benzyloxy-3-(dimethylaminomethyl)indole
  • 1-(5-(Benzyloxy)-1H-indol-3-yl)-N,N-dimethylmethanamine

Work with N,N-Dimethyl-5-(phenylmethoxy)-1H-indole-3-methanamine

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

5-(Benzyloxy)tryptamine20776-45-865 % similar 2-[5-(Benzyloxy)-1H-indol-3-yl]acetonitrile2436-15-964 % similar 5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine16620-52-364 % similar 5-(Benzyloxy)tryptamine monohydrochloride52055-23-961 % similar 5-Benzyloxyindole-3-acetic acid4382-53-059 % similar Gramine87-52-557 % similar 5-(Phenylmethoxy)-1H-indole-3-carboxaldehyde6953-22-655 % similar 5-Fluoro-N,N-dimethyl-1H-indole-3-methanamine343-90-854 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(4-Benzylpiperazin-1-yl)benzaldehyde112253-26-6 4-(4-Benzylpiperazin-1-yl)benzaldehyde166438-88-6

Elsewhere

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