1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine

C23H22ClNO2 — CID 126222406

IUPAC1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
SMILESCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C23H22ClNO2/c1-16-8-7-11-21(17(16)2)25-14-19-12-20(24)23(22(13-19)26-3)27-15-18-9-5-4-6-10-18/h4-14H,15H2,1-3H3/b25-14+
InChIKeyISAMSJCHSISDJI-AFUMVMLFSA-N
MW379.89 g/mol
LogP6.30
Rot. Bonds6

About 1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine

1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine (PubChem CID 126222406) has the molecular formula C23H22ClNO2 and a molecular weight of 379.89 g/mol. Its IUPAC name is 1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine.

Molecular Properties

Compound Name1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
PubChem CID126222406
Molecular FormulaC23H22ClNO2
Molecular Weight379.89 g/mol
Exact Mass379.13
IUPAC Name1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
SMILESCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C23H22ClNO2/c1-16-8-7-11-21(17(16)2)25-14-19-12-20(24)23(22(13-19)26-3)27-15-18-9-5-4-6-10-18/h4-14H,15H2,1-3H3/b25-14+
InChIKeyISAMSJCHSISDJI-AFUMVMLFSA-N
XLogP6.30
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.89
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dichloro-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126209246
N-(3-chloro-2-methylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine
CID 126221318
1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine
CID 126218007
N-(2,3-dimethylphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)methanimine
CID 126218926
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2-methylphenyl)methanimine
CID 126224885
1-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126214078
4-[[2-chloro-6-ethoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid
CID 126220395
4-[[2-chloro-4-[(2,4-dimethylphenyl)iminomethyl]-6-methoxyphenoxy]methyl]benzoic acid
CID 126209766
(Z)-1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 21381459
1-[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126216961
N-(2,3-dimethylphenyl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine
CID 126207011
2-[2-chloro-6-methoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126218854

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine?
The IUPAC name of 1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine (CID 126222406) is 1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine.
What is the SMILES notation for 1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine?
The canonical SMILES for 1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine is COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccccc1.
What is the InChIKey of 1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine?
The InChIKey is ISAMSJCHSISDJI-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H22ClNO2/c1-16-8-7-11-21(17(16)2)25-14-19-12-20(24)23(22(13-19)26-3)27-15-18-9-5-4-6-10-18/h4-14H,15H2,1-3H3/b25-14+.
What are the key properties of 1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine?
1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine has a molecular weight of 379.89 g/mol, XLogP of 6.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine is sourced from PubChem (CID 126222406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).