TL;DR: (S)-1-(4-bromophenyl)propan-1-amine (CAS 1108684-03-2) is a chemical compound with molecular formula C9H12BrN and molecular weight 213.0153 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S)-1-(4-bromophenyl)propan-1-amine
Also Known As: (S)-1-(4-bromophenyl)propan-1-amine, (1S)-1-(4-bromophenyl)propan-1-amine, 1-(4-bromophenyl)propan-1-amine, (S)-1-(4-bromo-phenyl)-propylamine, (S)-1-(4-Bromophenyl)-1-propanamine
| Molecular Formula | C9H12BrN |
| Molecular Weight | 213.0153 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.0153 Da |
| Heavy Atoms | 11 |
| Complexity | 108.0 |
| SMILES | CC[C@@H](C1=CC=C(C=C1)Br)N |
| InChIKey | WKPWFAZJGVXPCH-VIFPVBQESA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-1-(4-bromophenyl)propan-1-amine. With a topological polar surface area (TPSA) of 26.0 Ų, (S)-1-(4-bromophenyl)propan-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-1-(4-bromophenyl)propan-1-amine has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (S)-1-(4-bromophenyl)propan-1-amine is 1108684-03-2.
The molecular formula of (S)-1-(4-bromophenyl)propan-1-amine is C9H12BrN.
The molecular weight of (S)-1-(4-bromophenyl)propan-1-amine is 213.0153 g/mol.
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