1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine

C23H22ClNO — CID 126208451

IUPAC1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine
SMILESCc1ccc(COc2ccc(Cl)cc2/C=N/c2cccc(C)c2C)cc1
InChIInChI=1S/C23H22ClNO/c1-16-7-9-19(10-8-16)15-26-23-12-11-21(24)13-20(23)14-25-22-6-4-5-17(2)18(22)3/h4-14H,15H2,1-3H3/b25-14+
InChIKeyQMUIGPFVGYWCAB-AFUMVMLFSA-N
MW363.89 g/mol
LogP6.59
Rot. Bonds5

About 1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine

1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine (PubChem CID 126208451) has the molecular formula C23H22ClNO and a molecular weight of 363.89 g/mol. Its IUPAC name is 1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine.

Molecular Properties

Compound Name1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine
PubChem CID126208451
Molecular FormulaC23H22ClNO
Molecular Weight363.89 g/mol
Exact Mass363.14
IUPAC Name1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine
SMILESCc1ccc(COc2ccc(Cl)cc2/C=N/c2cccc(C)c2C)cc1
InChIInChI=1S/C23H22ClNO/c1-16-7-9-19(10-8-16)15-26-23-12-11-21(24)13-20(23)14-25-22-6-4-5-17(2)18(22)3/h4-14H,15H2,1-3H3/b25-14+
InChIKeyQMUIGPFVGYWCAB-AFUMVMLFSA-N
XLogP6.59
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.89
LogP ≤ 56.59
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

1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126225144
1-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]-N-(3-chloro-4-methylphenyl)methanimine
CID 126214908
5-chloro-2-[(4-methylphenyl)methoxy]benzaldehyde
CID 892242
1-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126209716
1-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126215948
1-(3,5-dichloro-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126209246
N-(2,3-dimethylphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)methanimine
CID 126218926
N-(2,3-dimethylphenyl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine
CID 126207011
N-(2,3-dimethylphenyl)-1-[2-[(2-fluorophenyl)methoxy]phenyl]methanimine
CID 126221634
N-[(Z)-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2-methylpropanamide
CID 39818805
N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]methanimine
CID 126219288
(NE)-N-[(5-chloro-2-phenylmethoxyphenyl)methylidene]hydroxylamine
CID 42200980

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine?
The IUPAC name of 1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine (CID 126208451) is 1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine.
What is the SMILES notation for 1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine?
The canonical SMILES for 1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine is Cc1ccc(COc2ccc(Cl)cc2/C=N/c2cccc(C)c2C)cc1.
What is the InChIKey of 1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine?
The InChIKey is QMUIGPFVGYWCAB-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H22ClNO/c1-16-7-9-19(10-8-16)15-26-23-12-11-21(24)13-20(23)14-25-22-6-4-5-17(2)18(22)3/h4-14H,15H2,1-3H3/b25-14+.
What are the key properties of 1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine?
1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine has a molecular weight of 363.89 g/mol, XLogP of 6.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine is sourced from PubChem (CID 126208451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).