| CAS Number | 1095117-78-4 |
| Catalog Number | AG019X86 |
| Chemical Name | {[5-(2-Fluorophenyl)thiophen-2-yl]methyl}(propan-2-yl)amine |
| IUPAC Name | N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]propan-2-amine |
| InChI | InChI=1S/C14H16FNS/c1-10(2)16-9-11-7-8-14(17-11)12-5-3-4-6-13(12)15/h3-8,10,16H,9H2,1-2H3 |
| InChI Key | XQMDGFBBBFNLBS-UHFFFAOYSA-N |
| MDL Number | MFCD11629507 |
| Molecular Formula | C14H16FNS |
| Molecular Weight | 249.3469 |
| SMILES | CC(NCC1SC(C2=C(F)C=CC=C2)=CC=1)C |
| Synonyms | {[5-(2-fluorophenyl)thiophen-2-yl]methyl}(propan-2-yl)amine,
1095117-78-4,
AC1Q1QCH,
CTK6B0264,
ZINC34652959,
AKOS009171000,
MCULE-1122003751,
NE37148,
EN300-54319,
Z323076746,
([5-(2-fluorophenyl)thiophen-2-yl]methyl)(propan-2-yl)amine,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.347g/mol |
| Monoisotopic Mass | 249.099g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 40.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number