1-(3,5-dibromo-4-prop-2-enoxyphenyl)-N-(4-ethoxyphenyl)methanimine

C18H17Br2NO2 — CID 126205744

IUPAC1-(3,5-dibromo-4-prop-2-enoxyphenyl)-N-(4-ethoxyphenyl)methanimine
SMILESC=CCOc1c(Br)cc(/C=N/c2ccc(OCC)cc2)cc1Br
InChIInChI=1S/C18H17Br2NO2/c1-3-9-23-18-16(19)10-13(11-17(18)20)12-21-14-5-7-15(8-6-14)22-4-2/h3,5-8,10-12H,1,4,9H2,2H3/b21-12+
InChIKeyDINHJXNQNSQTSO-CIAFOILYSA-N
MW439.15 g/mol
LogP5.93
Rot. Bonds7

About 1-(3,5-dibromo-4-prop-2-enoxyphenyl)-N-(4-ethoxyphenyl)methanimine

1-(3,5-dibromo-4-prop-2-enoxyphenyl)-N-(4-ethoxyphenyl)methanimine (PubChem CID 126205744) has the molecular formula C18H17Br2NO2 and a molecular weight of 439.15 g/mol. Its IUPAC name is 1-(3,5-dibromo-4-prop-2-enoxyphenyl)-N-(4-ethoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(3,5-dibromo-4-prop-2-enoxyphenyl)-N-(4-ethoxyphenyl)methanimine
PubChem CID126205744
Molecular FormulaC18H17Br2NO2
Molecular Weight439.15 g/mol
Exact Mass436.96
IUPAC Name1-(3,5-dibromo-4-prop-2-enoxyphenyl)-N-(4-ethoxyphenyl)methanimine
SMILESC=CCOc1c(Br)cc(/C=N/c2ccc(OCC)cc2)cc1Br
InChIInChI=1S/C18H17Br2NO2/c1-3-9-23-18-16(19)10-13(11-17(18)20)12-21-14-5-7-15(8-6-14)22-4-2/h3,5-8,10-12H,1,4,9H2,2H3/b21-12+
InChIKeyDINHJXNQNSQTSO-CIAFOILYSA-N
XLogP5.93
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.15
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromo-4,5-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 50884560
1-(3,5-dibromo-4-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126219590
1-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126220469
1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(4-ethoxyphenyl)methanimine
CID 126223204
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 126222022
1-(3,5-dibromo-4-prop-2-enoxyphenyl)-N-(2-methylphenyl)methanimine
CID 126207235
1-(4-ethoxyphenyl)-N-[4-[4-[(4-ethoxyphenyl)methylideneamino]phenoxy]phenyl]methanimine
CID 3287327
1-(3,5-dibromo-4-propoxyphenyl)-N-(4-ethylphenyl)methanimine
CID 126217272
1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-(4-methylphenyl)methanimine
CID 50885371
1-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)-N-(4-bromophenyl)methanimine
CID 19655769
1-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126217830
N-[(Z)-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 29148844

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromo-4-prop-2-enoxyphenyl)-N-(4-ethoxyphenyl)methanimine?
The IUPAC name of 1-(3,5-dibromo-4-prop-2-enoxyphenyl)-N-(4-ethoxyphenyl)methanimine (CID 126205744) is 1-(3,5-dibromo-4-prop-2-enoxyphenyl)-N-(4-ethoxyphenyl)methanimine.
What is the SMILES notation for 1-(3,5-dibromo-4-prop-2-enoxyphenyl)-N-(4-ethoxyphenyl)methanimine?
The canonical SMILES for 1-(3,5-dibromo-4-prop-2-enoxyphenyl)-N-(4-ethoxyphenyl)methanimine is C=CCOc1c(Br)cc(/C=N/c2ccc(OCC)cc2)cc1Br.
What is the InChIKey of 1-(3,5-dibromo-4-prop-2-enoxyphenyl)-N-(4-ethoxyphenyl)methanimine?
The InChIKey is DINHJXNQNSQTSO-CIAFOILYSA-N. The full InChI is InChI=1S/C18H17Br2NO2/c1-3-9-23-18-16(19)10-13(11-17(18)20)12-21-14-5-7-15(8-6-14)22-4-2/h3,5-8,10-12H,1,4,9H2,2H3/b21-12+.
What are the key properties of 1-(3,5-dibromo-4-prop-2-enoxyphenyl)-N-(4-ethoxyphenyl)methanimine?
1-(3,5-dibromo-4-prop-2-enoxyphenyl)-N-(4-ethoxyphenyl)methanimine has a molecular weight of 439.15 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromo-4-prop-2-enoxyphenyl)-N-(4-ethoxyphenyl)methanimine is sourced from PubChem (CID 126205744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).