1-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine

C21H16BrCl2NO — CID 126219723

IUPAC1-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine
SMILESCc1c(Cl)cccc1/N=C/c1cc(Br)ccc1OCc1ccccc1Cl
InChIInChI=1S/C21H16BrCl2NO/c1-14-18(23)7-4-8-20(14)25-12-16-11-17(22)9-10-21(16)26-13-15-5-2-3-6-19(15)24/h2-12H,13H2,1H3/b25-12+
InChIKeyPNLOFEVYXVWKGX-BRJLIKDPSA-N
MW449.18 g/mol
LogP7.39
Rot. Bonds5

About 1-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine

1-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine (PubChem CID 126219723) has the molecular formula C21H16BrCl2NO and a molecular weight of 449.18 g/mol. Its IUPAC name is 1-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine.

Molecular Properties

Compound Name1-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine
PubChem CID126219723
Molecular FormulaC21H16BrCl2NO
Molecular Weight449.18 g/mol
Exact Mass446.98
IUPAC Name1-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine
SMILESCc1c(Cl)cccc1/N=C/c1cc(Br)ccc1OCc1ccccc1Cl
InChIInChI=1S/C21H16BrCl2NO/c1-14-18(23)7-4-8-20(14)25-12-16-11-17(22)9-10-21(16)26-13-15-5-2-3-6-19(15)24/h2-12H,13H2,1H3/b25-12+
InChIKeyPNLOFEVYXVWKGX-BRJLIKDPSA-N
XLogP7.39
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.18
LogP ≤ 57.39
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

(NZ)-N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 51491083
1-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126219557
5-bromo-2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 882526
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(5-chloro-2-methylphenyl)methanimine
CID 126217471
2-[4-bromo-2-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126216116
1-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126209716
N-(3-chloro-2-methylphenyl)-1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methanimine
CID 126217246
4-bromo-2-[(3-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135592586
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine
CID 126215654
1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126217392
1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126225144
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126221091

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine?
The IUPAC name of 1-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine (CID 126219723) is 1-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine.
What is the SMILES notation for 1-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine?
The canonical SMILES for 1-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine is Cc1c(Cl)cccc1/N=C/c1cc(Br)ccc1OCc1ccccc1Cl.
What is the InChIKey of 1-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine?
The InChIKey is PNLOFEVYXVWKGX-BRJLIKDPSA-N. The full InChI is InChI=1S/C21H16BrCl2NO/c1-14-18(23)7-4-8-20(14)25-12-16-11-17(22)9-10-21(16)26-13-15-5-2-3-6-19(15)24/h2-12H,13H2,1H3/b25-12+.
What are the key properties of 1-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine?
1-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine has a molecular weight of 449.18 g/mol, XLogP of 7.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine is sourced from PubChem (CID 126219723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).