| CAS Number | 1184580-00-4 |
| Catalog Number | AG01A7N1 |
| Chemical Name | [4-(3,5-Dimethylphenoxy)-3-methylphenyl]methanamine |
| IUPAC Name | [4-(3,5-dimethylphenoxy)-3-methylphenyl]methanamine |
| InChI | InChI=1S/C16H19NO/c1-11-6-12(2)8-15(7-11)18-16-5-4-14(10-17)9-13(16)3/h4-9H,10,17H2,1-3H3 |
| InChI Key | FXEHQYCWLHWWGQ-UHFFFAOYSA-N |
| MDL Number | MFCD12872696 |
| Molecular Formula | C16H19NO |
| Molecular Weight | 241.3282 |
| SMILES | CC1=CC(OC2=C(C)C=C(CN)C=C2)=CC(C)=C1 |
| Synonyms | [4-(3,5-dimethylphenoxy)-3-methylphenyl]methanamine,
1184580-00-4,
AC1Q2J95,
ZINC37733319,
AKOS010153813,
MCULE-2574062593,
NE28113,
EN300-59206,
Benzenemethanamine, 4-(3,5-dimethylphenoxy)-3-methyl-,
Z1262237173,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.334g/mol |
| Monoisotopic Mass | 241.147g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number