| CAS Number | 184970-18-1 |
| Catalog Number | AG01A2P9(AGN-PC-06JU6H) |
| Chemical Name | Methyl(([3-(propan-2-yloxy)phenyl]methyl))amine |
| IUPAC Name | N-methyl-1-(3-propan-2-yloxyphenyl)methanamine |
| InChI | InChI=1S/C11H17NO/c1-9(2)13-11-6-4-5-10(7-11)8-12-3/h4-7,9,12H,8H2,1-3H3 |
| InChI Key | PWGQQYZRNIQISE-UHFFFAOYSA-N |
| MDL Number | MFCD11630171 |
| Molecular Formula | C11H17NO |
| Molecular Weight | 179.2588 |
| SMILES | CNCC1=CC(OC(C)C)=CC=C1 |
| Synonyms | methyl({[3-(propan-2-yloxy)phenyl]methyl})amine,
184970-18-1,
SCHEMBL255100,
ZINC34816146,
AKOS002637269,
MCULE-5540173869,
NE30076,
Z1516348595,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.263g/mol |
| Monoisotopic Mass | 179.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number