About 1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(3-methoxyphenyl)ethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine
1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(3-methoxyphenyl)ethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine (PubChem CID 173262702) has the molecular formula C70H83F9N10O10S
and a molecular weight of 1427.54 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(3-methoxyphenyl)ethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine.
Molecular Properties
| Compound Name | 1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(3-methoxyphenyl)ethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine |
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| PubChem CID | 173262702 |
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| Molecular Formula | C70H83F9N10O10S |
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| Molecular Weight | 1427.54 g/mol |
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| Exact Mass | 1426.59 |
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| IUPAC Name | 1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(3-methoxyphenyl)ethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine |
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| SMILES | CON=C(C)c1ccc(C(F)(F)F)cc1.CON=C(C)c1cccc(C(F)(F)F)c1.CON=C(C)c1cccc(OC)c1.CON=C(C)c1ccccc1C(F)(F)F.CON=C(C)c1cccn1C.CON=C(C)c1ccco1.CON=C(C)c1ccncc1.CON=C(C)c1ccsc1 |
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| InChI | InChI=1S/3C10H10F3NO.C10H13NO2.C8H12N2O.C8H10N2O.C7H9NO2.C7H9NOS/c1-7(14-15-2)8-3-5-9(6-4-8)10(11,12)13;1-7(14-15-2)8-4-3-5-9(6-8)10(11,12)13;1-7(14-15-2)8-5-3-4-6-9(8)10(11,12)13;1-8(11-13-3)9-5-4-6-10(7-9)12-2;1-7(9-11-3)8-5-4-6-10(8)2;1-7(10-11-2)8-3-5-9-6-4-8;1-6(8-9-2)7-4-3-5-10-7;1-6(8-9-2)7-3-4-10-5-7/h3*3-6H,1-2H3;4-7H,1-3H3;4-6H,1-3H3;3-6H,1-2H3;2*3-5H,1-2H3 |
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| InChIKey | QJYIUVXRJLFVCQ-UHFFFAOYSA-N |
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| XLogP | 17.91 |
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| TPSA | 212.91 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 21 |
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| Rotatable Bonds | 17 |
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| Heavy Atoms | 100 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 1427.54 |
| LogP ≤ 5 | 17.91 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |
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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Analyze 1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(3-methoxyphenyl)ethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(3-methoxyphenyl)ethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of 1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(3-methoxyphenyl)ethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine (CID 173262702) is 1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(3-methoxyphenyl)ethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for 1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(3-methoxyphenyl)ethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for 1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(3-methoxyphenyl)ethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine is CON=C(C)c1ccc(C(F)(F)F)cc1.CON=C(C)c1cccc(C(F)(F)F)c1.CON=C(C)c1cccc(OC)c1.CON=C(C)c1ccccc1C(F)(F)F.CON=C(C)c1cccn1C.CON=C(C)c1ccco1.CON=C(C)c1ccncc1.CON=C(C)c1ccsc1.
What is the InChIKey of 1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(3-methoxyphenyl)ethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is QJYIUVXRJLFVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H10F3NO.C10H13NO2.C8H12N2O.C8H10N2O.C7H9NO2.C7H9NOS/c1-7(14-15-2)8-3-5-9(6-4-8)10(11,12)13;1-7(14-15-2)8-4-3-5-9(6-8)10(11,12)13;1-7(14-15-2)8-5-3-4-6-9(8)10(11,12)13;1-8(11-13-3)9-5-4-6-10(7-9)12-2;1-7(9-11-3)8-5-4-6-10(8)2;1-7(10-11-2)8-3-5-9-6-4-8;1-6(8-9-2)7-4-3-5-10-7;1-6(8-9-2)7-3-4-10-5-7/h3*3-6H,1-2H3;4-7H,1-3H3;4-6H,1-3H3;3-6H,1-2H3;2*3-5H,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(3-methoxyphenyl)ethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine?
1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(3-methoxyphenyl)ethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine has a molecular weight of 1427.54 g/mol, XLogP of 17.91, 17 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(3-methoxyphenyl)ethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 173262702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).