Cas no 46397-90-4 (N,N-diethyl-1H-Indole-3-methanamine)

N,N-diethyl-1H-Indole-3-methanamine structure
46397-90-4 structure
Product Name:N,N-diethyl-1H-Indole-3-methanamine
CAS No:46397-90-4
MF:C13H18N2
MW:202.295423030853
CID:1112705
PubChem ID:39450
Update Time:2025-04-20

N,N-diethyl-1H-Indole-3-methanamine Chemical and Physical Properties

Names and Identifiers

    • N,N-diethyl-1H-Indole-3-methanamine
    • N-ethyl-N-(1H-indol-3-ylmethyl)ethanamine
    • 1H-Indole-3-methanamine, N,N-diethyl-
    • 3-((Diethylamino)methyl)indole
    • 3-(diethylaminomethyl)indole
    • 3-(N,N-diethylaminomethyl)-1H-indole
    • 3-diethylaminomethyl-1H-indole
    • BRN 0160404
    • Diaethyl-indol-3-ylmethyl-amin
    • diethyl-indol-3-ylmethyl-amine
    • INDOLE, 3-((DIETHYLAMINO)METHYL)-
    • N-((1H-indol-3-yl)methyl)-N-ethylethanamine
    • N-[(1H-indol-3-yl)methyl]-N-ethylethanamine
    • NSC331211
    • Oprea1_182998
    • Oprea1_424489
    • SureCN1027348
    • MLS000104622
    • AKOS000631388
    • NSC-331211
    • 46397-90-4
    • DTXSID10196827
    • STK043980
    • HMS2291C09
    • CHEMBL1359979
    • HMS1678C20
    • Cambridge id 5236785
    • DS-011309
    • CBDivE_008530
    • diethyl[(1H-indol-3-yl)methyl]amine
    • 5-22-10-00026 (Beilstein Handbook Reference)
    • SMR000054555
    • SCHEMBL1027348
    • NSC 331211
    • Inchi: 1S/C13H18N2/c1-3-15(4-2)10-11-9-14-13-8-6-5-7-12(11)13/h5-9,14H,3-4,10H2,1-2H3
    • InChI Key: RCGABEQHDDFFRR-UHFFFAOYSA-N
    • SMILES: N(CC)(CC)CC1=CNC2C=CC=CC1=2

Computed Properties

  • Exact Mass: 202.14700
  • Monoisotopic Mass: 202.146998583g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 189
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.5
  • Topological Polar Surface Area: 19?2

Experimental Properties

  • PSA: 19.03000
  • LogP: 3.00970
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