| CAS Number | 1019579-25-9 |
| Catalog Number | AG01B0V2 |
| Chemical Name | [1-(2-methylphenyl)ethyl](2-methylpropyl)amine |
| IUPAC Name | 2-methyl-N-[1-(2-methylphenyl)ethyl]propan-1-amine |
| InChI | InChI=1S/C13H21N/c1-10(2)9-14-12(4)13-8-6-5-7-11(13)3/h5-8,10,12,14H,9H2,1-4H3 |
| InChI Key | ITXYTLKSDOKGEB-UHFFFAOYSA-N |
| MDL Number | MFCD11139735 |
| Molecular Formula | C13H21N |
| Molecular Weight | 191.3125 |
| SMILES | CC(CNC(C1=C(C)C=CC=C1)C)C |
| Synonyms | [1-(2-methylphenyl)ethyl](2-methylpropyl)amine,
1019579-25-9,
AKOS000226884,
AKOS017275684,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.167g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.318g/mol |
| Monoisotopic Mass | 191.167g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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