| CAS Number | 1021031-68-4 |
| Catalog Number | AG01A3AI |
| Chemical Name | 1-(3,4-Difluorophenyl)-2-methylpropan-1-amine |
| IUPAC Name | 1-(3,4-difluorophenyl)-2-methylpropan-1-amine |
| InChI | InChI=1S/C10H13F2N/c1-6(2)10(13)7-3-4-8(11)9(12)5-7/h3-6,10H,13H2,1-2H3 |
| InChI Key | YDJBORNWZZLRGS-UHFFFAOYSA-N |
| MDL Number | MFCD11148305 |
| Molecular Formula | C10H13F2N |
| Molecular Weight | 185.2137 |
| SMILES | CC(C(C1=CC(F)=C(F)C=C1)N)C |
| Synonyms | 1-(3,4-difluorophenyl)-2-methylpropan-1-amine,
1021031-68-4,
SCHEMBL14100327,
AKOS000244458,
AKOS022272190,
NE52868,
|
| Complexity | 161 |
| 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 | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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