TL;DR: 4-(4-(1-Aminoethyl)cyclohexyl)phenol--hydrogen chloride (1/1) (CAS 113524-39-3) is a chemical compound with molecular formula C14H22ClNO and molecular weight 255.13899 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4-(1-aminoethyl)cyclohexyl]phenol;hydrochloride
Also Known As: Mg 16036, (E)-4-(4-(1-Aminoethyl)cyclohexyl)phenol hydrochloride, Phenol, 4-(4-(1-aminoethyl)cyclohexyl)-, hydrochloride, (E)-, trans-1-(4-(4-Idrossifenil)cicloesil)etilammina cloridrato, trans-1-(4-(4-Idrossifenil)cicloesil)etilammina cloridrato [Italian]
| Molecular Formula | C14H22ClNO |
| Molecular Weight | 255.13899 g/mol |
| XLogP | 3.435 |
| Topological Polar Surface Area (TPSA) | 46.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.13899 Da |
| Heavy Atoms | 17 |
| Complexity | 203.0 |
| SMILES | CC(C1CCC(CC1)C2=CC=C(C=C2)O)N.Cl |
| InChIKey | XWUUEPVUMOVWMG-UHFFFAOYSA-N |
The XLogP value of 3.435 indicates that 4-(4-(1-Aminoethyl)cyclohexyl)phenol--hydrogen chloride (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.3 Ų, 4-(4-(1-Aminoethyl)cyclohexyl)phenol--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-(1-Aminoethyl)cyclohexyl)phenol--hydrogen chloride (1/1) has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-(4-(1-Aminoethyl)cyclohexyl)phenol--hydrogen chloride (1/1) is 113524-39-3.
The molecular formula of 4-(4-(1-Aminoethyl)cyclohexyl)phenol--hydrogen chloride (1/1) is C14H22ClNO.
The molecular weight of 4-(4-(1-Aminoethyl)cyclohexyl)phenol--hydrogen chloride (1/1) is 255.13899 g/mol.
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