Cas no 827326-53-4 (1-Pyrrolidineethanamine,N-[(3-methylphenyl)methyl]-)

1-Pyrrolidineethanamine,N-[(3-methylphenyl)methyl]- structure
827326-53-4 structure
Product Name:1-Pyrrolidineethanamine,N-[(3-methylphenyl)methyl]-
CAS No:827326-53-4
MF:C14H22N2
MW:218.337883472443
CID:715961
PubChem ID:3614540
Update Time:2025-04-19

1-Pyrrolidineethanamine,N-[(3-methylphenyl)methyl]- Chemical and Physical Properties

Names and Identifiers

    • 1-Pyrrolidineethanamine,N-[(3-methylphenyl)methyl]-
    • 1-Pyrrolidineethanamine,N-[(3-methylphenyl)methyl]-(9CI)
    • Z86205527
    • N-(3-methylbenzyl)-2-(pyrrolidin-1-yl)ethanamine
    • SCHEMBL15587390
    • N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
    • 827326-53-4
    • AKOS008040892
    • Inchi: 1S/C14H22N2/c1-13-5-4-6-14(11-13)12-15-7-10-16-8-2-3-9-16/h4-6,11,15H,2-3,7-10,12H2,1H3
    • InChI Key: UGNVOEOLXRDBEE-UHFFFAOYSA-N
    • SMILES: N1(CCNCC2C=CC=C(C)C=2)CCCC1

Computed Properties

  • Exact Mass: 218.178
  • Monoisotopic Mass: 218.178
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 187
  • 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: 2.2
  • Topological Polar Surface Area: 15.3?2
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