| CAS Number | 42825-59-2 |
| Catalog Number | AG01B933 |
| Chemical Name | 1-(4-methoxyphenyl)-2-phenylethan-1-amine |
| IUPAC Name | 1-(4-methoxyphenyl)-2-phenylethanamine |
| InChI | InChI=1S/C15H17NO/c1-17-14-9-7-13(8-10-14)15(16)11-12-5-3-2-4-6-12/h2-10,15H,11,16H2,1H3 |
| InChI Key | YIHSDPMXTWBNDR-UHFFFAOYSA-N |
| MDL Number | MFCD09035599 |
| Molecular Formula | C15H17NO |
| Molecular Weight | 227.3016 |
| SMILES | COC1=CC=C(C(CC2=CC=CC=C2)N)C=C1 |
| Synonyms | 1-(4-methoxyphenyl)-2-phenylethan-1-amine,
42825-59-2,
62402-44-2,
AC1L8X1E,
SCHEMBL2368100,
alpha-(4-Methoxyphenyl)phenethylamine,
AKOS000169667,
AKOS022196691,
1-(4-methoxyphenyl)-2-phenylethanamine,
[1-(4-methoxyphenyl)-2-phenyl-ethyl]-amine,
Z2168389558,
CID434223,
NSC345777,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.307g/mol |
| Monoisotopic Mass | 227.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number