| CAS Number | 1226184-21-9 |
| Catalog Number | AG01AINB |
| Chemical Name | (2,2-dimethylpropyl)[2-(4-methoxyphenyl)ethyl]amine |
| IUPAC Name | N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropan-1-amine |
| InChI | InChI=1S/C14H23NO/c1-14(2,3)11-15-10-9-12-5-7-13(16-4)8-6-12/h5-8,15H,9-11H2,1-4H3 |
| InChI Key | BBTDGWPVYMURHU-UHFFFAOYSA-N |
| MDL Number | MFCD14625026 |
| Molecular Formula | C14H23NO |
| Molecular Weight | 221.3385 |
| SMILES | COC1=CC=C(CCNCC(C)(C)C)C=C1 |
| Synonyms | (2,2-dimethylpropyl)[2-(4-methoxyphenyl)ethyl]amine,
1226184-21-9,
ZINC41051088,
AKOS010580962,
MCULE-5565623959,
NE20412,
EN300-78434,
Z1162926331,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.344g/mol |
| Monoisotopic Mass | 221.178g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number