About N-ethyl-3-phenylbicyclo[2.2.1]heptan-2-amine
N-ethyl-3-phenylbicyclo[2.2.1]heptan-2-amine (PubChem CID 14584) has the molecular formula C15H21N
and a molecular weight of 215.34 g/mol. Its IUPAC name is N-ethyl-3-phenylbicyclo[2.2.1]heptan-2-amine.
Molecular Properties
| Compound Name | N-ethyl-3-phenylbicyclo[2.2.1]heptan-2-amine |
| PubChem CID | 14584 |
| Molecular Formula | C15H21N |
| Molecular Weight | 215.34 g/mol |
| Exact Mass | 215.17 |
| IUPAC Name | N-ethyl-3-phenylbicyclo[2.2.1]heptan-2-amine |
| SMILES | CCNC1C2CCC(C2)C1c1ccccc1 |
| InChI | InChI=1S/C15H21N/c1-2-16-15-13-9-8-12(10-13)14(15)11-6-4-3-5-7-11/h3-7,12-16H,2,8-10H2,1H3 |
| InChIKey | IKFBPFGUINLYQI-UHFFFAOYSA-N |
| XLogP | 3.18 |
| TPSA | 12.03 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 215.34 |
| LogP ≤ 5 | 3.18 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of N-ethyl-3-phenylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-ethyl-3-phenylbicyclo[2.2.1]heptan-2-amine (CID 14584) is N-ethyl-3-phenylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-ethyl-3-phenylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-ethyl-3-phenylbicyclo[2.2.1]heptan-2-amine is CCNC1C2CCC(C2)C1c1ccccc1.
What is the InChIKey of N-ethyl-3-phenylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is IKFBPFGUINLYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-2-16-15-13-9-8-12(10-13)14(15)11-6-4-3-5-7-11/h3-7,12-16H,2,8-10H2,1H3.
What are the key properties of N-ethyl-3-phenylbicyclo[2.2.1]heptan-2-amine?
N-ethyl-3-phenylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 215.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-phenylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 14584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).