| CAS Number | 637015-27-1 |
| Catalog Number | AG019LPR(AGN-PC-04PD60) |
| Chemical Name | [(2,4-Difluorophenyl)methyl](propyl)amine |
| IUPAC Name | N-[(2,4-difluorophenyl)methyl]propan-1-amine |
| InChI | InChI=1S/C10H13F2N/c1-2-5-13-7-8-3-4-9(11)6-10(8)12/h3-4,6,13H,2,5,7H2,1H3 |
| InChI Key | KPVAIUHSMFTAJU-UHFFFAOYSA-N |
| MDL Number | MFCD09928517 |
| Molecular Formula | C10H13F2N |
| Molecular Weight | 185.2137 |
| SMILES | CCCNCC1=C(F)C=C(F)C=C1 |
| Synonyms | 637015-27-1,
[(2,4-DIFLUOROPHENYL)METHYL](PROPYL)AMINE,
N-(2,4-difluorobenzyl)-N-propylamine,
SCHEMBL4630473,
KPVAIUHSMFTAJU-UHFFFAOYSA-N,
ZINC19424713,
AKOS000168619,
N-(2,4-difluorobenzyl)propan-1-amine,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.218g/mol |
| Monoisotopic Mass | 185.102g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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