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

C22H19Cl2NO — CID 126209246

IUPAC1-(3,5-dichloro-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
SMILESCc1cccc(/N=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)c1C
InChIInChI=1S/C22H19Cl2NO/c1-15-7-6-10-21(16(15)2)25-13-18-11-19(23)22(20(24)12-18)26-14-17-8-4-3-5-9-17/h3-13H,14H2,1-2H3/b25-13+
InChIKeyUTDHBWPBUFHXLK-DHRITJCHSA-N
MW384.31 g/mol
LogP6.94
Rot. Bonds5

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

1-(3,5-dichloro-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine (PubChem CID 126209246) has the molecular formula C22H19Cl2NO and a molecular weight of 384.31 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine.

Molecular Properties

Compound Name1-(3,5-dichloro-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
PubChem CID126209246
Molecular FormulaC22H19Cl2NO
Molecular Weight384.31 g/mol
Exact Mass383.08
IUPAC Name1-(3,5-dichloro-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
SMILESCc1cccc(/N=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)c1C
InChIInChI=1S/C22H19Cl2NO/c1-15-7-6-10-21(16(15)2)25-13-18-11-19(23)22(20(24)12-18)26-14-17-8-4-3-5-9-17/h3-13H,14H2,1-2H3/b25-13+
InChIKeyUTDHBWPBUFHXLK-DHRITJCHSA-N
XLogP6.94
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.31
LogP ≤ 56.94
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-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126222406
1-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126214078
N-(3-chloro-2-methylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine
CID 126221318
N-(2,3-dimethylphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)methanimine
CID 126218926
1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126226443
N-(3-chloro-2-methylphenyl)-1-[3,5-dichloro-4-[(4-nitrophenyl)methoxy]phenyl]methanimine
CID 126208858
N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methanimine
CID 126219344
1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126220285
4-[[2-chloro-6-ethoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid
CID 126220395
1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine
CID 126218007
1-[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126216961
1-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,3-dimethylphenyl)methanimine
CID 126221758

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine?
The IUPAC name of 1-(3,5-dichloro-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine (CID 126209246) is 1-(3,5-dichloro-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine.
What is the SMILES notation for 1-(3,5-dichloro-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine?
The canonical SMILES for 1-(3,5-dichloro-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine is Cc1cccc(/N=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)c1C.
What is the InChIKey of 1-(3,5-dichloro-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine?
The InChIKey is UTDHBWPBUFHXLK-DHRITJCHSA-N. The full InChI is InChI=1S/C22H19Cl2NO/c1-15-7-6-10-21(16(15)2)25-13-18-11-19(23)22(20(24)12-18)26-14-17-8-4-3-5-9-17/h3-13H,14H2,1-2H3/b25-13+.
What are the key properties of 1-(3,5-dichloro-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine?
1-(3,5-dichloro-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine has a molecular weight of 384.31 g/mol, XLogP of 6.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine is sourced from PubChem (CID 126209246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).