N-[2-(chloromethoxy)phenyl]methanimine

C8H8ClNO — CID 143973444

IUPACN-[2-(chloromethoxy)phenyl]methanimine
SMILESC=Nc1ccccc1OCCl
InChIInChI=1S/C8H8ClNO/c1-10-7-4-2-3-5-8(7)11-6-9/h2-5H,1,6H2
InChIKeyIOLUPUNXZBUHHO-UHFFFAOYSA-N
MW169.61 g/mol
LogP2.59
Rot. Bonds3

About N-[2-(chloromethoxy)phenyl]methanimine

N-[2-(chloromethoxy)phenyl]methanimine (PubChem CID 143973444) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is N-[2-(chloromethoxy)phenyl]methanimine.

Molecular Properties

Compound NameN-[2-(chloromethoxy)phenyl]methanimine
PubChem CID143973444
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC NameN-[2-(chloromethoxy)phenyl]methanimine
SMILESC=Nc1ccccc1OCCl
InChIInChI=1S/C8H8ClNO/c1-10-7-4-2-3-5-8(7)11-6-9/h2-5H,1,6H2
InChIKeyIOLUPUNXZBUHHO-UHFFFAOYSA-N
XLogP2.59
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethoxy)phenyl]methanimine?
The IUPAC name of N-[2-(chloromethoxy)phenyl]methanimine (CID 143973444) is N-[2-(chloromethoxy)phenyl]methanimine.
What is the SMILES notation for N-[2-(chloromethoxy)phenyl]methanimine?
The canonical SMILES for N-[2-(chloromethoxy)phenyl]methanimine is C=Nc1ccccc1OCCl.
What is the InChIKey of N-[2-(chloromethoxy)phenyl]methanimine?
The InChIKey is IOLUPUNXZBUHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO/c1-10-7-4-2-3-5-8(7)11-6-9/h2-5H,1,6H2.
What are the key properties of N-[2-(chloromethoxy)phenyl]methanimine?
N-[2-(chloromethoxy)phenyl]methanimine has a molecular weight of 169.61 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethoxy)phenyl]methanimine is sourced from PubChem (CID 143973444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).