1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-[4-(4-methoxyphenoxy)phenyl]methanimine

C27H21Br2NO3 — CID 126195588

IUPAC1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-[4-(4-methoxyphenoxy)phenyl]methanimine
SMILESCOc1ccc(Oc2ccc(/N=C/c3ccc(OCc4ccc(Br)cc4Br)cc3)cc2)cc1
InChIInChI=1S/C27H21Br2NO3/c1-31-23-12-14-26(15-13-23)33-25-10-6-22(7-11-25)30-17-19-2-8-24(9-3-19)32-18-20-4-5-21(28)16-27(20)29/h2-17H,18H2,1H3/b30-17+
InChIKeyJSANRZVDKKIHOQ-OCSSWDANSA-N
MW567.28 g/mol
LogP8.34
Rot. Bonds8

About 1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-[4-(4-methoxyphenoxy)phenyl]methanimine

1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-[4-(4-methoxyphenoxy)phenyl]methanimine (PubChem CID 126195588) has the molecular formula C27H21Br2NO3 and a molecular weight of 567.28 g/mol. Its IUPAC name is 1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-[4-(4-methoxyphenoxy)phenyl]methanimine.

Molecular Properties

Compound Name1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-[4-(4-methoxyphenoxy)phenyl]methanimine
PubChem CID126195588
Molecular FormulaC27H21Br2NO3
Molecular Weight567.28 g/mol
Exact Mass564.99
IUPAC Name1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-[4-(4-methoxyphenoxy)phenyl]methanimine
SMILESCOc1ccc(Oc2ccc(/N=C/c3ccc(OCc4ccc(Br)cc4Br)cc3)cc2)cc1
InChIInChI=1S/C27H21Br2NO3/c1-31-23-12-14-26(15-13-23)33-25-10-6-22(7-11-25)30-17-19-2-8-24(9-3-19)32-18-20-4-5-21(28)16-27(20)29/h2-17H,18H2,1H3/b30-17+
InChIKeyJSANRZVDKKIHOQ-OCSSWDANSA-N
XLogP8.34
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.28
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-[4-(4-methoxyphenoxy)phenyl]methanimine?
The IUPAC name of 1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-[4-(4-methoxyphenoxy)phenyl]methanimine (CID 126195588) is 1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-[4-(4-methoxyphenoxy)phenyl]methanimine.
What is the SMILES notation for 1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-[4-(4-methoxyphenoxy)phenyl]methanimine?
The canonical SMILES for 1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-[4-(4-methoxyphenoxy)phenyl]methanimine is COc1ccc(Oc2ccc(/N=C/c3ccc(OCc4ccc(Br)cc4Br)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-[4-(4-methoxyphenoxy)phenyl]methanimine?
The InChIKey is JSANRZVDKKIHOQ-OCSSWDANSA-N. The full InChI is InChI=1S/C27H21Br2NO3/c1-31-23-12-14-26(15-13-23)33-25-10-6-22(7-11-25)30-17-19-2-8-24(9-3-19)32-18-20-4-5-21(28)16-27(20)29/h2-17H,18H2,1H3/b30-17+.
What are the key properties of 1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-[4-(4-methoxyphenoxy)phenyl]methanimine?
1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-[4-(4-methoxyphenoxy)phenyl]methanimine has a molecular weight of 567.28 g/mol, XLogP of 8.34, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-[4-(4-methoxyphenoxy)phenyl]methanimine is sourced from PubChem (CID 126195588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).