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

C22H18Br2FNO — CID 126209068

IUPAC1-[3,5-dibromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine
SMILESCc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2F)c(C)c1
InChIInChI=1S/C22H18Br2FNO/c1-14-7-8-21(15(2)9-14)26-12-17-10-18(23)11-19(24)22(17)27-13-16-5-3-4-6-20(16)25/h3-12H,13H2,1-2H3/b26-12+
InChIKeyTYIGUHFAVIIXAF-RPPGKUMJSA-N
MW491.20 g/mol
LogP7.30
Rot. Bonds5

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

1-[3,5-dibromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine (PubChem CID 126209068) has the molecular formula C22H18Br2FNO and a molecular weight of 491.20 g/mol. Its IUPAC name is 1-[3,5-dibromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine.

Molecular Properties

Compound Name1-[3,5-dibromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine
PubChem CID126209068
Molecular FormulaC22H18Br2FNO
Molecular Weight491.20 g/mol
Exact Mass488.97
IUPAC Name1-[3,5-dibromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine
SMILESCc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2F)c(C)c1
InChIInChI=1S/C22H18Br2FNO/c1-14-7-8-21(15(2)9-14)26-12-17-10-18(23)11-19(24)22(17)27-13-16-5-3-4-6-20(16)25/h3-12H,13H2,1-2H3/b26-12+
InChIKeyTYIGUHFAVIIXAF-RPPGKUMJSA-N
XLogP7.30
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.20
LogP ≤ 57.30
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-[3,5-dibromo-2-[(4-fluorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126206151
N-(2,4-dimethylphenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine
CID 126219375
1-[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine
CID 126223338
1-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126214636
N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]methanimine
CID 126219288
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine
CID 126215654
1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126207810
N-[(E)-[3,5-dibromo-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-ethoxy-3-methoxybenzamide
CID 126307522
1-(3,5-dibromo-2-methoxyphenyl)-N-(4-iodo-2-methylphenyl)methanimine
CID 50883934
1-[3,5-dibromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126220487
1-(3,5-dibromo-2-propoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126214465
N-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2,4-dimethylaniline
CID 126128067

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dibromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine?
The IUPAC name of 1-[3,5-dibromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine (CID 126209068) is 1-[3,5-dibromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine.
What is the SMILES notation for 1-[3,5-dibromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine?
The canonical SMILES for 1-[3,5-dibromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine is Cc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2F)c(C)c1.
What is the InChIKey of 1-[3,5-dibromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine?
The InChIKey is TYIGUHFAVIIXAF-RPPGKUMJSA-N. The full InChI is InChI=1S/C22H18Br2FNO/c1-14-7-8-21(15(2)9-14)26-12-17-10-18(23)11-19(24)22(17)27-13-16-5-3-4-6-20(16)25/h3-12H,13H2,1-2H3/b26-12+.
What are the key properties of 1-[3,5-dibromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine?
1-[3,5-dibromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine has a molecular weight of 491.20 g/mol, XLogP of 7.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dibromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine is sourced from PubChem (CID 126209068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).