1-(3-bromo-4,5-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine

C19H22BrNO3 — CID 50884560

IUPAC1-(3-bromo-4,5-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
SMILESCCOc1ccc(/N=C/c2cc(Br)c(OCC)c(OCC)c2)cc1
InChIInChI=1S/C19H22BrNO3/c1-4-22-16-9-7-15(8-10-16)21-13-14-11-17(20)19(24-6-3)18(12-14)23-5-2/h7-13H,4-6H2,1-3H3/b21-13+
InChIKeyCHXITVBXIQXMIT-FYJGNVAPSA-N
MW392.29 g/mol
LogP5.40
Rot. Bonds8

About 1-(3-bromo-4,5-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine

1-(3-bromo-4,5-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine (PubChem CID 50884560) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is 1-(3-bromo-4,5-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(3-bromo-4,5-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
PubChem CID50884560
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC Name1-(3-bromo-4,5-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
SMILESCCOc1ccc(/N=C/c2cc(Br)c(OCC)c(OCC)c2)cc1
InChIInChI=1S/C19H22BrNO3/c1-4-22-16-9-7-15(8-10-16)21-13-14-11-17(20)19(24-6-3)18(12-14)23-5-2/h7-13H,4-6H2,1-3H3/b21-13+
InChIKeyCHXITVBXIQXMIT-FYJGNVAPSA-N
XLogP5.40
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.29
LogP ≤ 55.40
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-(3,5-dibromo-4-prop-2-enoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 126205744
1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-(4-methylphenyl)methanimine
CID 50885371
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 126222022
1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(4-ethoxyphenyl)methanimine
CID 126223204
1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-phenylmethanimine
CID 50885405
1-(3,5-dibromo-4-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126219590
1-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126214053
1-[3-bromo-4-(2,4-dinitrophenoxy)-5-ethoxyphenyl]-N-(4-ethoxyphenyl)methanimine
CID 126223092
1-(3-ethoxy-5-iodo-4-propoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 126214958
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
[2-bromo-6-ethoxy-4-[(4-methoxyphenyl)iminomethyl]phenyl] 4-methylbenzenesulfonate
CID 126205142

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4,5-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine?
The IUPAC name of 1-(3-bromo-4,5-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine (CID 50884560) is 1-(3-bromo-4,5-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine.
What is the SMILES notation for 1-(3-bromo-4,5-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine?
The canonical SMILES for 1-(3-bromo-4,5-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine is CCOc1ccc(/N=C/c2cc(Br)c(OCC)c(OCC)c2)cc1.
What is the InChIKey of 1-(3-bromo-4,5-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine?
The InChIKey is CHXITVBXIQXMIT-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-4-22-16-9-7-15(8-10-16)21-13-14-11-17(20)19(24-6-3)18(12-14)23-5-2/h7-13H,4-6H2,1-3H3/b21-13+.
What are the key properties of 1-(3-bromo-4,5-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine?
1-(3-bromo-4,5-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine has a molecular weight of 392.29 g/mol, XLogP of 5.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4,5-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine is sourced from PubChem (CID 50884560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).