1-[4-chloro-3-(methoxymethyl)phenyl]-N-[(6-methyl-2-pyridinyl)methoxy]ethanimine

C17H19ClN2O2 — CID 142777170

IUPAC1-[4-chloro-3-(methoxymethyl)phenyl]-N-[(6-methyl-2-pyridinyl)methoxy]ethanimine
SMILESCOCc1cc(C(C)=NOCc2cccc(C)n2)ccc1Cl
InChIInChI=1S/C17H19ClN2O2/c1-12-5-4-6-16(19-12)11-22-20-13(2)14-7-8-17(18)15(9-14)10-21-3/h4-9H,10-11H2,1-3H3
InChIKeySZENHPVCDHLKGX-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.13
Rot. Bonds6

About 1-[4-chloro-3-(methoxymethyl)phenyl]-N-[(6-methyl-2-pyridinyl)methoxy]ethanimine

1-[4-chloro-3-(methoxymethyl)phenyl]-N-[(6-methyl-2-pyridinyl)methoxy]ethanimine (PubChem CID 142777170) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-[4-chloro-3-(methoxymethyl)phenyl]-N-[(6-methyl-2-pyridinyl)methoxy]ethanimine.

Molecular Properties

Compound Name1-[4-chloro-3-(methoxymethyl)phenyl]-N-[(6-methyl-2-pyridinyl)methoxy]ethanimine
PubChem CID142777170
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name1-[4-chloro-3-(methoxymethyl)phenyl]-N-[(6-methyl-2-pyridinyl)methoxy]ethanimine
SMILESCOCc1cc(C(C)=NOCc2cccc(C)n2)ccc1Cl
InChIInChI=1S/C17H19ClN2O2/c1-12-5-4-6-16(19-12)11-22-20-13(2)14-7-8-17(18)15(9-14)10-21-3/h4-9H,10-11H2,1-3H3
InChIKeySZENHPVCDHLKGX-UHFFFAOYSA-N
XLogP4.13
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[4-chloro-3-(methoxymethyl)phenyl]-N-[(6-methyl-2-pyridinyl)methoxy]ethanimine?
The IUPAC name of 1-[4-chloro-3-(methoxymethyl)phenyl]-N-[(6-methyl-2-pyridinyl)methoxy]ethanimine (CID 142777170) is 1-[4-chloro-3-(methoxymethyl)phenyl]-N-[(6-methyl-2-pyridinyl)methoxy]ethanimine.
What is the SMILES notation for 1-[4-chloro-3-(methoxymethyl)phenyl]-N-[(6-methyl-2-pyridinyl)methoxy]ethanimine?
The canonical SMILES for 1-[4-chloro-3-(methoxymethyl)phenyl]-N-[(6-methyl-2-pyridinyl)methoxy]ethanimine is COCc1cc(C(C)=NOCc2cccc(C)n2)ccc1Cl.
What is the InChIKey of 1-[4-chloro-3-(methoxymethyl)phenyl]-N-[(6-methyl-2-pyridinyl)methoxy]ethanimine?
The InChIKey is SZENHPVCDHLKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-12-5-4-6-16(19-12)11-22-20-13(2)14-7-8-17(18)15(9-14)10-21-3/h4-9H,10-11H2,1-3H3.
What are the key properties of 1-[4-chloro-3-(methoxymethyl)phenyl]-N-[(6-methyl-2-pyridinyl)methoxy]ethanimine?
1-[4-chloro-3-(methoxymethyl)phenyl]-N-[(6-methyl-2-pyridinyl)methoxy]ethanimine has a molecular weight of 318.80 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(methoxymethyl)phenyl]-N-[(6-methyl-2-pyridinyl)methoxy]ethanimine is sourced from PubChem (CID 142777170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).