| CAS Number | 1049713-63-4 |
| Catalog Number | AG01B921 |
| Chemical Name | ({2-[(2-Fluorophenyl)methoxy]-3-methoxyphenyl}methyl)(methyl)amine hydrochloride |
| IUPAC Name | 1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-methylmethanamine;hydrochloride |
| InChI | InChI=1S/C16H18FNO2.ClH/c1-18-10-12-7-5-9-15(19-2)16(12)20-11-13-6-3-4-8-14(13)17;/h3-9,18H,10-11H2,1-2H3;1H |
| InChI Key | CMNATSIPLYQSSN-UHFFFAOYSA-N |
| MDL Number | MFCD07106791 |
| Molecular Formula | C16H19ClFNO2 |
| Molecular Weight | 311.7790 |
| SMILES | Cl.CNCC1=C(OCC2=C(F)C=CC=C2)C(OC)=CC=C1 |
| Synonyms | ({2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}methyl)(methyl)amine hydrochloride,
1049713-63-4,
AC1MH6WR,
AKOS016882201,
MCULE-4277125811,
1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-methylmethanamine hydrochloride,
CID2997252,
1-[2-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]-N-methyl-methanamine Hydrochloride,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.781g/mol |
| Monoisotopic Mass | 311.109g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number