| CAS Number | 852404-79-6 |
| Catalog Number | AG019O58 |
| Chemical Name | ethyl({3-methoxy-4-[(thiophen-2-yl)methoxy]phenyl}methyl)amine |
| IUPAC Name | N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine |
| InChI | InChI=1S/C15H19NO2S/c1-3-16-10-12-6-7-14(15(9-12)17-2)18-11-13-5-4-8-19-13/h4-9,16H,3,10-11H2,1-2H3 |
| InChI Key | JFNCOWKYYLAPPG-UHFFFAOYSA-N |
| MDL Number | MFCD04604952 |
| Molecular Formula | C15H19NO2S |
| Molecular Weight | 277.3819 |
| SMILES | CCNCC1=CC(OC)=C(OCC2SC=CC=2)C=C1 |
| Synonyms | 852404-79-6,
ethyl({[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl})amine,
N-[3-methoxy-4-(thien-2-ylmethoxy)benzyl]ethanamine,
AC1M9O1R,
AC1Q31L4,
CTK6F2363,
N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine,
ZINC3442042,
AKOS001079808,
MCULE-9335194244,
NE37649,
NCGC00332517-01,
EN300-12815,
AB01326172-02,
Z57326818,
ethyl({3-methoxy-4-[(thiophen-2-yl)methoxy]phenyl}methyl)amine,
CID2562097,
ethyl(([3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl))amine,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.382g/mol |
| Monoisotopic Mass | 277.114g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 58.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number