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

C22H18Br2FNO — CID 126214636

IUPAC1-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
SMILESCc1ccc(/N=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1C
InChIInChI=1S/C22H18Br2FNO/c1-14-7-8-18(9-15(14)2)26-12-16-10-19(23)22(20(24)11-16)27-13-17-5-3-4-6-21(17)25/h3-12H,13H2,1-2H3/b26-12+
InChIKeyBXQHRRZPCZYVKX-RPPGKUMJSA-N
MW491.20 g/mol
LogP7.30
Rot. Bonds5

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

1-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine (PubChem CID 126214636) has the molecular formula C22H18Br2FNO and a molecular weight of 491.20 g/mol. Its IUPAC name is 1-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine.

Molecular Properties

Compound Name1-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
PubChem CID126214636
Molecular FormulaC22H18Br2FNO
Molecular Weight491.20 g/mol
Exact Mass488.97
IUPAC Name1-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
SMILESCc1ccc(/N=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1C
InChIInChI=1S/C22H18Br2FNO/c1-14-7-8-18(9-15(14)2)26-12-16-10-19(23)22(20(24)11-16)27-13-17-5-3-4-6-21(17)25/h3-12H,13H2,1-2H3/b26-12+
InChIKeyBXQHRRZPCZYVKX-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-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126217862
N-(3,4-dimethylphenyl)-1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methanimine
CID 126218669
N-(3-chloro-4-methylphenyl)-1-[3-[(2-fluorophenyl)methoxy]phenyl]methanimine
CID 126206500
N-(3-chloro-4-methylphenyl)-1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methanimine
CID 126216784
2-[2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126221588
1-[(Z)-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-ethylthiourea
CID 126375763
1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126221945
2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenol
CID 137138656
N-(3,4-dichlorophenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine
CID 3388817
1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126220285
2-bromo-4-[(3,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 137059390
2-[[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]propanedinitrile
CID 4032159

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine?
The IUPAC name of 1-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine (CID 126214636) is 1-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine.
What is the SMILES notation for 1-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine?
The canonical SMILES for 1-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine is Cc1ccc(/N=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1C.
What is the InChIKey of 1-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine?
The InChIKey is BXQHRRZPCZYVKX-RPPGKUMJSA-N. The full InChI is InChI=1S/C22H18Br2FNO/c1-14-7-8-18(9-15(14)2)26-12-16-10-19(23)22(20(24)11-16)27-13-17-5-3-4-6-21(17)25/h3-12H,13H2,1-2H3/b26-12+.
What are the key properties of 1-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine?
1-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-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-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine is sourced from PubChem (CID 126214636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).