1-(3-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methoxy]ethanimine

C13H11Cl2NOS — CID 141141529

IUPAC1-(3-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methoxy]ethanimine
SMILESCC(=NOCc1ccc(Cl)s1)c1cccc(Cl)c1
InChIInChI=1S/C13H11Cl2NOS/c1-9(10-3-2-4-11(14)7-10)16-17-8-12-5-6-13(15)18-12/h2-7H,8H2,1H3
InChIKeyQABSUYJCKZWCIU-UHFFFAOYSA-N
MW300.21 g/mol
LogP5.00
Rot. Bonds4

About 1-(3-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methoxy]ethanimine

1-(3-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methoxy]ethanimine (PubChem CID 141141529) has the molecular formula C13H11Cl2NOS and a molecular weight of 300.21 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methoxy]ethanimine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methoxy]ethanimine
PubChem CID141141529
Molecular FormulaC13H11Cl2NOS
Molecular Weight300.21 g/mol
Exact Mass298.99
IUPAC Name1-(3-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methoxy]ethanimine
SMILESCC(=NOCc1ccc(Cl)s1)c1cccc(Cl)c1
InChIInChI=1S/C13H11Cl2NOS/c1-9(10-3-2-4-11(14)7-10)16-17-8-12-5-6-13(15)18-12/h2-7H,8H2,1H3
InChIKeyQABSUYJCKZWCIU-UHFFFAOYSA-N
XLogP5.00
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-(3-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methoxy]ethanimine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methoxy]ethanimine (CID 141141529) is 1-(3-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methoxy]ethanimine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methoxy]ethanimine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methoxy]ethanimine is CC(=NOCc1ccc(Cl)s1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methoxy]ethanimine?
The InChIKey is QABSUYJCKZWCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NOS/c1-9(10-3-2-4-11(14)7-10)16-17-8-12-5-6-13(15)18-12/h2-7H,8H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methoxy]ethanimine?
1-(3-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methoxy]ethanimine has a molecular weight of 300.21 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methoxy]ethanimine is sourced from PubChem (CID 141141529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).