| CAS Number | 108971-51-3 |
| Catalog Number | AG01A7XH |
| Chemical Name | Benzyl[1-(2-methoxyphenyl)propan-2-yl]amine |
| IUPAC Name | N-benzyl-1-(2-methoxyphenyl)propan-2-amine |
| InChI | InChI=1S/C17H21NO/c1-14(18-13-15-8-4-3-5-9-15)12-16-10-6-7-11-17(16)19-2/h3-11,14,18H,12-13H2,1-2H3 |
| InChI Key | DXRDGZFKNHRXPM-UHFFFAOYSA-N |
| MDL Number | MFCD12509323 |
| Molecular Formula | C17H21NO |
| Molecular Weight | 255.3547 |
| SMILES | COC1=C(CC(NCC2=CC=CC=C2)C)C=CC=C1 |
| Synonyms | benzyl[1-(2-methoxyphenyl)propan-2-yl]amine,
108971-51-3,
AC1MIAK3,
N-benzyl-1-(2-methoxyphenyl)propan-2-amine,
AC1Q45D1,
CTK7B0995,
AKOS005905956,
MCULE-7604168218,
NE39988,
EN300-60088,
Z635834626,
CID3065812,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.361g/mol |
| Monoisotopic Mass | 255.162g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number