N-(3-chloro-4-methylphenyl)-1-(3,5-dichloro-4-methoxyphenyl)methanimine

C15H12Cl3NO — CID 126216572

IUPACN-(3-chloro-4-methylphenyl)-1-(3,5-dichloro-4-methoxyphenyl)methanimine
SMILESCOc1c(Cl)cc(/C=N/c2ccc(C)c(Cl)c2)cc1Cl
InChIInChI=1S/C15H12Cl3NO/c1-9-3-4-11(7-12(9)16)19-8-10-5-13(17)15(20-2)14(18)6-10/h3-8H,1-2H3/b19-8+
InChIKeyKAKZWIARCQJIPR-UFWORHAWSA-N
MW328.63 g/mol
LogP5.71
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-1-(3,5-dichloro-4-methoxyphenyl)methanimine

N-(3-chloro-4-methylphenyl)-1-(3,5-dichloro-4-methoxyphenyl)methanimine (PubChem CID 126216572) has the molecular formula C15H12Cl3NO and a molecular weight of 328.63 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-(3,5-dichloro-4-methoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-(3,5-dichloro-4-methoxyphenyl)methanimine
PubChem CID126216572
Molecular FormulaC15H12Cl3NO
Molecular Weight328.63 g/mol
Exact Mass327.00
IUPAC NameN-(3-chloro-4-methylphenyl)-1-(3,5-dichloro-4-methoxyphenyl)methanimine
SMILESCOc1c(Cl)cc(/C=N/c2ccc(C)c(Cl)c2)cc1Cl
InChIInChI=1S/C15H12Cl3NO/c1-9-3-4-11(7-12(9)16)19-8-10-5-13(17)15(20-2)14(18)6-10/h3-8H,1-2H3/b19-8+
InChIKeyKAKZWIARCQJIPR-UFWORHAWSA-N
XLogP5.71
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.63
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-4-[(3-chloro-4-methylphenyl)iminomethyl]phenol
CID 137149795
N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine
CID 126214752
[2-chloro-4-[(3-chloro-4-methylphenyl)iminomethyl]-6-methoxyphenyl] 4-methylbenzenesulfonate
CID 126219325
4-[(3-chloro-4-methylphenyl)iminomethyl]-2-iodo-6-methoxyphenol
CID 137149832
N-(3-chloro-4-methylphenyl)-1-(3,5-dibromo-2-methoxyphenyl)methanimine
CID 126207516
1-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)methanimine
CID 833856
1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine
CID 126218007
N-(3-chloro-4-methylphenyl)-1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methanimine
CID 126216784
N-(3-chloro-4-methylphenyl)-1-(4-nitrophenyl)methanimine
CID 690795
1-[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-N-(3-chloro-4-methylphenyl)methanimine
CID 126217786
4-bromo-2-[(3-chloro-4-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135592590
N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)methanimine
CID 958548

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-(3,5-dichloro-4-methoxyphenyl)methanimine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-(3,5-dichloro-4-methoxyphenyl)methanimine (CID 126216572) is N-(3-chloro-4-methylphenyl)-1-(3,5-dichloro-4-methoxyphenyl)methanimine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-(3,5-dichloro-4-methoxyphenyl)methanimine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-(3,5-dichloro-4-methoxyphenyl)methanimine is COc1c(Cl)cc(/C=N/c2ccc(C)c(Cl)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-(3,5-dichloro-4-methoxyphenyl)methanimine?
The InChIKey is KAKZWIARCQJIPR-UFWORHAWSA-N. The full InChI is InChI=1S/C15H12Cl3NO/c1-9-3-4-11(7-12(9)16)19-8-10-5-13(17)15(20-2)14(18)6-10/h3-8H,1-2H3/b19-8+.
What are the key properties of N-(3-chloro-4-methylphenyl)-1-(3,5-dichloro-4-methoxyphenyl)methanimine?
N-(3-chloro-4-methylphenyl)-1-(3,5-dichloro-4-methoxyphenyl)methanimine has a molecular weight of 328.63 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-(3,5-dichloro-4-methoxyphenyl)methanimine is sourced from PubChem (CID 126216572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).