1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(4-ethoxyphenyl)methanimine

C23H21Br2NO3 — CID 126223204

IUPAC1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(4-ethoxyphenyl)methanimine
SMILESCCOc1ccc(/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1
InChIInChI=1S/C23H21Br2NO3/c1-3-28-20-10-8-19(9-11-20)26-14-17-12-21(25)23(22(13-17)27-2)29-15-16-4-6-18(24)7-5-16/h4-14H,3,15H2,1-2H3/b26-14+
InChIKeyQOUSZCXAIMORIX-VULFUBBASA-N
MW519.23 g/mol
LogP6.95
Rot. Bonds8

About 1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(4-ethoxyphenyl)methanimine

1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(4-ethoxyphenyl)methanimine (PubChem CID 126223204) has the molecular formula C23H21Br2NO3 and a molecular weight of 519.23 g/mol. Its IUPAC name is 1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(4-ethoxyphenyl)methanimine.

Molecular Properties

Compound Name1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(4-ethoxyphenyl)methanimine
PubChem CID126223204
Molecular FormulaC23H21Br2NO3
Molecular Weight519.23 g/mol
Exact Mass516.99
IUPAC Name1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(4-ethoxyphenyl)methanimine
SMILESCCOc1ccc(/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1
InChIInChI=1S/C23H21Br2NO3/c1-3-28-20-10-8-19(9-11-20)26-14-17-12-21(25)23(22(13-17)27-2)29-15-16-4-6-18(24)7-5-16/h4-14H,3,15H2,1-2H3/b26-14+
InChIKeyQOUSZCXAIMORIX-VULFUBBASA-N
XLogP6.95
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.23
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 126222022
1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-methylphenyl)methanimine
CID 126219299
1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
CID 126215718
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethylphenyl)methanimine
CID 126222908
1-(3-bromo-4,5-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 50884560
1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-(4-methylphenyl)methanimine
CID 50885371
1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-phenylmethanimine
CID 50885405
N-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-methylmethanamine
CID 110340975
N-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]methanamine
CID 110340974
1-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-N-(4-methoxyphenyl)methanimine
CID 126218213
1-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126220469
1-[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126214929

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(4-ethoxyphenyl)methanimine?
The IUPAC name of 1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(4-ethoxyphenyl)methanimine (CID 126223204) is 1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(4-ethoxyphenyl)methanimine.
What is the SMILES notation for 1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(4-ethoxyphenyl)methanimine?
The canonical SMILES for 1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(4-ethoxyphenyl)methanimine is CCOc1ccc(/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1.
What is the InChIKey of 1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(4-ethoxyphenyl)methanimine?
The InChIKey is QOUSZCXAIMORIX-VULFUBBASA-N. The full InChI is InChI=1S/C23H21Br2NO3/c1-3-28-20-10-8-19(9-11-20)26-14-17-12-21(25)23(22(13-17)27-2)29-15-16-4-6-18(24)7-5-16/h4-14H,3,15H2,1-2H3/b26-14+.
What are the key properties of 1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(4-ethoxyphenyl)methanimine?
1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(4-ethoxyphenyl)methanimine has a molecular weight of 519.23 g/mol, XLogP of 6.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(4-ethoxyphenyl)methanimine is sourced from PubChem (CID 126223204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).