| Canonical Smiles | CC(C)CC(C1=CC=CC=C1OC)N |
|---|---|
| IUPAC Name | 1-(2-methoxyphenyl)-3-methylbutan-1-amine |
| InChIKey | YQKCPHZYWZWJJD-UHFFFAOYSA-N |
| INCHI | 1S/C12H19NO/c1-9(2)8-11(13)10-6-4-5-7-12(10)14-3/h4-7,9,11H,8,13H2,1-3H3 |
| Isomeric SMILES | CC(C)CC(C1=CC=CC=C1OC)N |
| PubChem CID | 60798864 |
| Molecular Weight | 193.28 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenol ethers |
| Subclass | Anisoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anisoles |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Aralkylamines Alkyl aryl ethers Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Ether - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Primary amine - Hydrocarbon derivative - Organic oxygen compound - Amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. |
| External Descriptors | Not available |
| Molecular Weight | 193.280 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 193.147 Da |
| Monoisotopic Mass | 193.147 Da |
| Topological Polar Surface Area | 35.300 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 158.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
