Cas no 848572-38-3 ((S)-1-(4-Methoxyphenyl)pentan-1-amine)

(S)-1-(4-Methoxyphenyl)pentan-1-amine structure
848572-38-3 structure
Product Name:(S)-1-(4-Methoxyphenyl)pentan-1-amine
CAS No:848572-38-3
MF:C12H19NO
MW:193.285363435745
CID:5032570
Update Time:2023-08-25

(S)-1-(4-Methoxyphenyl)pentan-1-amine Chemical and Physical Properties

Names and Identifiers

    • (S)-1-(4-Methoxyphenyl)pentan-1-amine
    • (1S)-1-(4-methoxyphenyl)pentan-1-amine
    • Inchi: 1S/C12H19NO/c1-3-4-5-12(13)10-6-8-11(14-2)9-7-10/h6-9,12H,3-5,13H2,1-2H3/t12-/m0/s1
    • InChI Key: MAQCJIYQOOBEKW-LBPRGKRZSA-N
    • SMILES: O(C)C1C=CC(=CC=1)[C@H](CCCC)N

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 141
  • XLogP3: 2.6
  • Topological Polar Surface Area: 35.2
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