About (E)-N-methoxy-3-phenylpropan-1-imine
(E)-N-methoxy-3-phenylpropan-1-imine (PubChem CID 15638563) has the molecular formula C10H13NO
and a molecular weight of 163.22 g/mol. Its IUPAC name is (E)-N-methoxy-3-phenylpropan-1-imine.
Molecular Properties
| Compound Name | (E)-N-methoxy-3-phenylpropan-1-imine |
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| PubChem CID | 15638563 |
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| Molecular Formula | C10H13NO |
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| Molecular Weight | 163.22 g/mol |
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| Exact Mass | 163.10 |
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| IUPAC Name | (E)-N-methoxy-3-phenylpropan-1-imine |
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| SMILES | CO/N=C/CCc1ccccc1 |
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| InChI | InChI=1S/C10H13NO/c1-12-11-9-5-8-10-6-3-2-4-7-10/h2-4,6-7,9H,5,8H2,1H3/b11-9+ |
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| InChIKey | BGODCHQCEPMQOX-PKNBQFBNSA-N |
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| XLogP | 2.25 |
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| TPSA | 21.59 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 12 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 163.22 |
| LogP ≤ 5 | 2.25 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (E)-N-methoxy-3-phenylpropan-1-imine?
The IUPAC name of (E)-N-methoxy-3-phenylpropan-1-imine (CID 15638563) is (E)-N-methoxy-3-phenylpropan-1-imine.
What is the SMILES notation for (E)-N-methoxy-3-phenylpropan-1-imine?
The canonical SMILES for (E)-N-methoxy-3-phenylpropan-1-imine is CO/N=C/CCc1ccccc1.
What is the InChIKey of (E)-N-methoxy-3-phenylpropan-1-imine?
The InChIKey is BGODCHQCEPMQOX-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H13NO/c1-12-11-9-5-8-10-6-3-2-4-7-10/h2-4,6-7,9H,5,8H2,1H3/b11-9+.
What are the key properties of (E)-N-methoxy-3-phenylpropan-1-imine?
(E)-N-methoxy-3-phenylpropan-1-imine has a molecular weight of 163.22 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-3-phenylpropan-1-imine is sourced from PubChem (CID 15638563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).