About (1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine (PubChem CID 13234523) has the molecular formula C17H21NO
and a molecular weight of 255.36 g/mol. Its IUPAC name is (1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine.
Molecular Properties
| Compound Name | (1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine |
| PubChem CID | 13234523 |
| Molecular Formula | C17H21NO |
| Molecular Weight | 255.36 g/mol |
| Exact Mass | 255.16 |
| IUPAC Name | (1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine |
| SMILES | COc1ccccc1[C@@H](C)N[C@H](C)c1ccccc1 |
| InChI | InChI=1S/C17H21NO/c1-13(15-9-5-4-6-10-15)18-14(2)16-11-7-8-12-17(16)19-3/h4-14,18H,1-3H3/t13-,14-/m1/s1 |
| InChIKey | OSAOAOVBWHPOPY-ZIAGYGMSSA-N |
| XLogP | 4.11 |
| TPSA | 21.26 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 255.36 |
| LogP ≤ 5 | 4.11 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of (1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine (CID 13234523) is (1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine is COc1ccccc1[C@@H](C)N[C@H](C)c1ccccc1.
What is the InChIKey of (1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine?
The InChIKey is OSAOAOVBWHPOPY-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H21NO/c1-13(15-9-5-4-6-10-15)18-14(2)16-11-7-8-12-17(16)19-3/h4-14,18H,1-3H3/t13-,14-/m1/s1.
What are the key properties of (1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine?
(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine has a molecular weight of 255.36 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine is sourced from PubChem (CID 13234523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).