1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-methylphenyl)methanimine

C23H22BrNO2 — CID 126219299

IUPAC1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-methylphenyl)methanimine
SMILESCOc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1
InChIInChI=1S/C23H22BrNO2/c1-16-4-8-18(9-5-16)15-27-23-21(24)12-19(13-22(23)26-3)14-25-20-10-6-17(2)7-11-20/h4-14H,15H2,1-3H3/b25-14+
InChIKeySHBVYXALAYSTCP-AFUMVMLFSA-N
MW424.34 g/mol
LogP6.40
Rot. Bonds6

About 1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-methylphenyl)methanimine

1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-methylphenyl)methanimine (PubChem CID 126219299) has the molecular formula C23H22BrNO2 and a molecular weight of 424.34 g/mol. Its IUPAC name is 1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-methylphenyl)methanimine.

Molecular Properties

Compound Name1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-methylphenyl)methanimine
PubChem CID126219299
Molecular FormulaC23H22BrNO2
Molecular Weight424.34 g/mol
Exact Mass423.08
IUPAC Name1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-methylphenyl)methanimine
SMILESCOc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1
InChIInChI=1S/C23H22BrNO2/c1-16-4-8-18(9-5-16)15-27-23-21(24)12-19(13-22(23)26-3)14-25-20-10-6-17(2)7-11-20/h4-14H,15H2,1-3H3/b25-14+
InChIKeySHBVYXALAYSTCP-AFUMVMLFSA-N
XLogP6.40
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.34
LogP ≤ 56.40
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-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
CID 126215718
1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-(4-methylphenyl)methanimine
CID 50885371
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethylphenyl)methanimine
CID 126222908
1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(4-ethoxyphenyl)methanimine
CID 126223204
1-[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126214929
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 126222022
1-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126219547
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2-methylphenyl)methanimine
CID 126224885
1-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine
CID 126207553
1-[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126217209
1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-phenylmethanimine
CID 50885405
1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(5-chloro-2-methylphenyl)methanimine
CID 126220707

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-methylphenyl)methanimine?
The IUPAC name of 1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-methylphenyl)methanimine (CID 126219299) is 1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-methylphenyl)methanimine.
What is the SMILES notation for 1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-methylphenyl)methanimine?
The canonical SMILES for 1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-methylphenyl)methanimine is COc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1.
What is the InChIKey of 1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-methylphenyl)methanimine?
The InChIKey is SHBVYXALAYSTCP-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H22BrNO2/c1-16-4-8-18(9-5-16)15-27-23-21(24)12-19(13-22(23)26-3)14-25-20-10-6-17(2)7-11-20/h4-14H,15H2,1-3H3/b25-14+.
What are the key properties of 1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-methylphenyl)methanimine?
1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-methylphenyl)methanimine has a molecular weight of 424.34 g/mol, XLogP of 6.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-methylphenyl)methanimine is sourced from PubChem (CID 126219299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).