About 2-(2-aminoethyl)-N-cyclopropylaniline
2-(2-aminoethyl)-N-cyclopropylaniline (PubChem CID 83816645) has the molecular formula C11H16N2
and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-cyclopropylaniline.
Molecular Properties
| Compound Name | 2-(2-aminoethyl)-N-cyclopropylaniline |
| PubChem CID | 83816645 |
| Molecular Formula | C11H16N2 |
| Molecular Weight | 176.26 g/mol |
| Exact Mass | 176.13 |
| IUPAC Name | 2-(2-aminoethyl)-N-cyclopropylaniline |
| SMILES | NCCc1ccccc1NC1CC1 |
| InChI | InChI=1S/C11H16N2/c12-8-7-9-3-1-2-4-11(9)13-10-5-6-10/h1-4,10,13H,5-8,12H2 |
| InChIKey | SMMFBPNTCQPCPO-UHFFFAOYSA-N |
| XLogP | 1.76 |
| TPSA | 38.05 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 176.26 |
| LogP ≤ 5 | 1.76 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2-(2-aminoethyl)-N-cyclopropylaniline?
The IUPAC name of 2-(2-aminoethyl)-N-cyclopropylaniline (CID 83816645) is 2-(2-aminoethyl)-N-cyclopropylaniline.
What is the SMILES notation for 2-(2-aminoethyl)-N-cyclopropylaniline?
The canonical SMILES for 2-(2-aminoethyl)-N-cyclopropylaniline is NCCc1ccccc1NC1CC1.
What is the InChIKey of 2-(2-aminoethyl)-N-cyclopropylaniline?
The InChIKey is SMMFBPNTCQPCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c12-8-7-9-3-1-2-4-11(9)13-10-5-6-10/h1-4,10,13H,5-8,12H2.
What are the key properties of 2-(2-aminoethyl)-N-cyclopropylaniline?
2-(2-aminoethyl)-N-cyclopropylaniline has a molecular weight of 176.26 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-cyclopropylaniline is sourced from PubChem (CID 83816645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).