1-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)-N-(4-bromophenyl)methanimine

C18H17Br2NO2 — CID 19655769

IUPAC1-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)-N-(4-bromophenyl)methanimine
SMILESC=CCOc1cc(Br)c(/C=N/c2ccc(Br)cc2)cc1OCC
InChIInChI=1S/C18H17Br2NO2/c1-3-9-23-18-11-16(20)13(10-17(18)22-4-2)12-21-15-7-5-14(19)6-8-15/h3,5-8,10-12H,1,4,9H2,2H3/b21-12+
InChIKeyWFCSIDVSBAMIHG-CIAFOILYSA-N
MW439.15 g/mol
LogP5.93
Rot. Bonds7

About 1-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)-N-(4-bromophenyl)methanimine

1-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)-N-(4-bromophenyl)methanimine (PubChem CID 19655769) has the molecular formula C18H17Br2NO2 and a molecular weight of 439.15 g/mol. Its IUPAC name is 1-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)-N-(4-bromophenyl)methanimine.

Molecular Properties

Compound Name1-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)-N-(4-bromophenyl)methanimine
PubChem CID19655769
Molecular FormulaC18H17Br2NO2
Molecular Weight439.15 g/mol
Exact Mass436.96
IUPAC Name1-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)-N-(4-bromophenyl)methanimine
SMILESC=CCOc1cc(Br)c(/C=N/c2ccc(Br)cc2)cc1OCC
InChIInChI=1S/C18H17Br2NO2/c1-3-9-23-18-11-16(20)13(10-17(18)22-4-2)12-21-15-7-5-14(19)6-8-15/h3,5-8,10-12H,1,4,9H2,2H3/b21-12+
InChIKeyWFCSIDVSBAMIHG-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-(2-bromo-4-ethoxy-5-methoxyphenyl)-N-(4-methylphenyl)methanimine
CID 19582469
N-[(Z)-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-methylaniline
CID 51415549
[(E)-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]urea
CID 19617603
[(E)-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]thiourea
CID 19617604
1-(2-bromo-4,5-dimethoxyphenyl)-N-[4-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]phenyl]methanimine
CID 101215350
1-(3,5-dibromo-4-prop-2-enoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 126205744
1-[(Z)-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-3-ethylthiourea
CID 6276989
2-bromo-4-[(4-bromophenyl)methoxy]-5-ethoxybenzaldehyde
CID 21211263
1-(2,4-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 600803
4-[(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 4562838
(NZ)-N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylidene]hydroxylamine
CID 6299617
1-(2-bromo-4,5-dimethoxyphenyl)-N-phenylmethanimine
CID 13212556

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)-N-(4-bromophenyl)methanimine?
The IUPAC name of 1-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)-N-(4-bromophenyl)methanimine (CID 19655769) is 1-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)-N-(4-bromophenyl)methanimine.
What is the SMILES notation for 1-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)-N-(4-bromophenyl)methanimine?
The canonical SMILES for 1-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)-N-(4-bromophenyl)methanimine is C=CCOc1cc(Br)c(/C=N/c2ccc(Br)cc2)cc1OCC.
What is the InChIKey of 1-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)-N-(4-bromophenyl)methanimine?
The InChIKey is WFCSIDVSBAMIHG-CIAFOILYSA-N. The full InChI is InChI=1S/C18H17Br2NO2/c1-3-9-23-18-11-16(20)13(10-17(18)22-4-2)12-21-15-7-5-14(19)6-8-15/h3,5-8,10-12H,1,4,9H2,2H3/b21-12+.
What are the key properties of 1-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)-N-(4-bromophenyl)methanimine?
1-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)-N-(4-bromophenyl)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-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)-N-(4-bromophenyl)methanimine is sourced from PubChem (CID 19655769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).