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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=CC(=C(C=C1)C(C)C)OCC2=CC=C(C=C2)N |
|---|---|
| IUPAC Name | 4-[(5-methyl-2-propan-2-ylphenoxy)methyl]aniline |
| InChIKey | MHVJXMZPBOXUQX-UHFFFAOYSA-N |
| INCHI | 1S/C17H21NO/c1-12(2)16-9-4-13(3)10-17(16)19-11-14-5-7-15(18)8-6-14/h4-10,12H,11,18H2,1-3H3 |
| Molecular Weight | 255.35 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Monoterpenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aromatic monoterpenoids |
| Alternative Parents | Monocyclic monoterpenoids Phenylpropanes Cumenes Phenoxy compounds Phenol ethers Aniline and substituted anilines Toluenes Alkyl aryl ethers Primary amines Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Cumene - Phenylpropane - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Benzenoid - Ether - Primary amine - Hydrocarbon derivative - Amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. |
| External Descriptors | Not available |
| Molecular Weight | 255.350 g/mol |
|---|---|
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 255.162 Da |
| Monoisotopic Mass | 255.162 Da |
| Topological Polar Surface Area | 35.300 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 258.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |