N-(4-chlorophenyl)-1-(2-methoxyphenyl)methanimine oxide

C14H12ClNO2 — CID 573960

IUPACN-(4-chlorophenyl)-1-(2-methoxyphenyl)methanimine oxide
SMILESCOc1ccccc1C=[N+]([O-])c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO2/c1-18-14-5-3-2-4-11(14)10-16(17)13-8-6-12(15)7-9-13/h2-10H,1H3
InChIKeyYXKKDOOUKQUKBL-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.61
Rot. Bonds3

About N-(4-chlorophenyl)-1-(2-methoxyphenyl)methanimine oxide

N-(4-chlorophenyl)-1-(2-methoxyphenyl)methanimine oxide (PubChem CID 573960) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(2-methoxyphenyl)methanimine oxide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(2-methoxyphenyl)methanimine oxide
PubChem CID573960
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC NameN-(4-chlorophenyl)-1-(2-methoxyphenyl)methanimine oxide
SMILESCOc1ccccc1C=[N+]([O-])c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO2/c1-18-14-5-3-2-4-11(14)10-16(17)13-8-6-12(15)7-9-13/h2-10H,1H3
InChIKeyYXKKDOOUKQUKBL-UHFFFAOYSA-N
XLogP3.61
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-2-chloro-2-nitroethenyl]-2-methoxybenzene
CID 15396657
1-(2,5-difluorophenyl)-N-phenylmethanimine oxide
CID 88774823
N-(4-chlorophenyl)-1-(4-methoxycarbonylphenyl)methanimine oxide
CID 4548622
1-methoxy-2-[(E)-2-(4-nitrophenyl)sulfonylethenyl]benzene
CID 9036138
N-(3-bromo-4-methoxyphenyl)-1-phenylmethanimine oxide
CID 58399528
1-chloro-3-[(E)-2-(2-methoxyphenyl)ethenyl]benzene
CID 139240530
1-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethoxybenzene
CID 138660638
N-(4-chlorophenyl)-1-pyrimidin-5-ylmethanimine oxide
CID 88776999
1-(2-methoxyphenyl)-N-(3,5,5-trimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)methanimine oxide
CID 3697904
1-(2-fluoroethenyl)-2-methoxybenzene
CID 134862998
(E)-3-(2-methoxyphenyl)prop-2-en-1-ol
CID 11400969
1-(3,3-dichloroprop-1-enyl)-2-methoxybenzene
CID 118255170

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(2-methoxyphenyl)methanimine oxide?
The IUPAC name of N-(4-chlorophenyl)-1-(2-methoxyphenyl)methanimine oxide (CID 573960) is N-(4-chlorophenyl)-1-(2-methoxyphenyl)methanimine oxide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(2-methoxyphenyl)methanimine oxide?
The canonical SMILES for N-(4-chlorophenyl)-1-(2-methoxyphenyl)methanimine oxide is COc1ccccc1C=[N+]([O-])c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-(2-methoxyphenyl)methanimine oxide?
The InChIKey is YXKKDOOUKQUKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-18-14-5-3-2-4-11(14)10-16(17)13-8-6-12(15)7-9-13/h2-10H,1H3.
What are the key properties of N-(4-chlorophenyl)-1-(2-methoxyphenyl)methanimine oxide?
N-(4-chlorophenyl)-1-(2-methoxyphenyl)methanimine oxide has a molecular weight of 261.71 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(2-methoxyphenyl)methanimine oxide is sourced from PubChem (CID 573960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).