TL;DR: m-Anisidine, 4-butoxy- (CAS 104177-78-8) is a chemical compound with molecular formula C11H17NO2 and molecular weight 195.12593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-butoxy-3-methoxyaniline
Also Known As: 4-butoxy-3-methoxyaniline, m-ANISIDINE, 4-BUTOXY-, 4-Butoxy-m-anisidine, 4-BUTOXY-3-METHOXY-ANILINE, Benzenamine,4-butoxy-3-methoxy-
| Molecular Formula | C11H17NO2 |
| Molecular Weight | 195.12593 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 44.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 195.12593 Da |
| Heavy Atoms | 14 |
| Complexity | 152.0 |
| SMILES | CCCCOC1=C(C=C(C=C1)N)OC |
| InChIKey | XGLYMVHOEUAQJZ-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-Anisidine, 4-butoxy-. With a topological polar surface area (TPSA) of 44.5 Ų, m-Anisidine, 4-butoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, m-Anisidine, 4-butoxy- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of m-Anisidine, 4-butoxy- is 104177-78-8.
The molecular formula of m-Anisidine, 4-butoxy- is C11H17NO2.
The molecular weight of m-Anisidine, 4-butoxy- is 195.12593 g/mol.
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