TL;DR: Aniline, N-methyl-p-(8-phenoxyoctyloxy)- (CAS 102759-19-3) is a chemical compound with molecular formula C21H29NO2 and molecular weight 327.21982 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-methyl-4-(8-phenoxyoctoxy)aniline
Also Known As: ANILINE, N-METHYL-p-(8-PHENOXYOCTYLOXY)-, N-methyl-4-(8-phenoxyoctoxy)aniline, N-Methyl-p-(8-phenoxyoctyloxy)aniline, M & B 3568, n-methyl-4-[(8-phenoxyoctyl)oxy]aniline
| Molecular Formula | C21H29NO2 |
| Molecular Weight | 327.21982 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 327.21982 Da |
| Heavy Atoms | 24 |
| Complexity | 284.0 |
| SMILES | CNC1=CC=C(C=C1)OCCCCCCCCOC2=CC=CC=C2 |
| InChIKey | ZIOSLEJHBGKWMR-UHFFFAOYSA-N |
The XLogP value of 6.1 indicates that Aniline, N-methyl-p-(8-phenoxyoctyloxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.5 Ų, Aniline, N-methyl-p-(8-phenoxyoctyloxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aniline, N-methyl-p-(8-phenoxyoctyloxy)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Aniline, N-methyl-p-(8-phenoxyoctyloxy)- is 102759-19-3.
The molecular formula of Aniline, N-methyl-p-(8-phenoxyoctyloxy)- is C21H29NO2.
The molecular weight of Aniline, N-methyl-p-(8-phenoxyoctyloxy)- is 327.21982 g/mol.
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