| CAS Number | 1017031-66-1 |
| Catalog Number | AG019LPW |
| Chemical Name | [1-(2-methoxyphenyl)ethyl](propyl)amine |
| IUPAC Name | N-[1-(2-methoxyphenyl)ethyl]propan-1-amine |
| InChI | InChI=1S/C12H19NO/c1-4-9-13-10(2)11-7-5-6-8-12(11)14-3/h5-8,10,13H,4,9H2,1-3H3 |
| InChI Key | QTUOYYFCEHNZOD-UHFFFAOYSA-N |
| MDL Number | MFCD09948156 |
| Molecular Formula | C12H19NO |
| Molecular Weight | 193.2854 |
| SMILES | CCCNC(C1=C(OC)C=CC=C1)C |
| Synonyms | [1-(2-methoxyphenyl)ethyl](propyl)amine,
1017031-66-1,
AKOS000193909,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.29g/mol |
| Monoisotopic Mass | 193.147g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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