Molecule ID: 131801221

IUPAC Name: (4-methoxyphenyl)methyl-methyl-[(3-methyloxetan-3-yl)methyl]azanium

Description: The molecule is an ammonium ion obtained by protonation of the amino group of 1-(4-methoxyphenyl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine. The major species at pH 7.3. It is a conjugate acid of a 1-(4-methoxyphenyl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine.

SMILES: COc1ccc(C[NH+](C)CC2(C)COC2)cc1

SELFIES: [C][O][C][=C][C][=C][Branch1][S][C][NH1+1][Branch1][C][C][C][C][Branch1][C][C][C][O][C][Ring1][Branch1][C][=C][Ring1][#C]

InChI: InChI=1S/C14H21NO2/c1-14(10-17-11-14)9-15(2)8-12-4-6-13(16-3)7-5-12/h4-7H,8-11H2,1-3H3/p+1

Molecular Properties:
- Polar Surface Area: 22.9 Ų
- LogP: 2.0