| CAS Number | 1177333-89-9 |
| Catalog Number | AG01AQCT |
| Chemical Name | ([1-(4-Fluorobenzyl)-2,5-dimethyl-1h-pyrrol-3-yl]methyl)amine |
| IUPAC Name | [1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]methanamine |
| InChI | InChI=1S/C14H17FN2/c1-10-7-13(8-16)11(2)17(10)9-12-3-5-14(15)6-4-12/h3-7H,8-9,16H2,1-2H3 |
| InChI Key | NFLAGPAABMDFBN-UHFFFAOYSA-N |
| MDL Number | MFCD16653336 |
| Molecular Formula | C14H17FN2 |
| Molecular Weight | 232.2966 |
| SMILES | CC1N(CC2=CC=C(F)C=C2)C(C)=C(CN)C=1 |
| Synonyms | {[1-(4-fluorobenzyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}amine,
1177333-89-9,
ZINC34936128,
AKOS015957513,
F2167-0106,
{1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl}methanamine,
N/A,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.302g/mol |
| Monoisotopic Mass | 232.138g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 31A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number