3-bromo-4-(4-methoxy-N-methylanilino)benzaldehyde

C15H14BrNO2 — CID 114062202

IUPAC3-bromo-4-(4-methoxy-N-methylanilino)benzaldehyde
SMILESCOc1ccc(N(C)c2ccc(C=O)cc2Br)cc1
InChIInChI=1S/C15H14BrNO2/c1-17(12-4-6-13(19-2)7-5-12)15-8-3-11(10-18)9-14(15)16/h3-10H,1-2H3
InChIKeyFEUFRNAXTBTKCW-UHFFFAOYSA-N
MW320.19 g/mol
LogP4.04
Rot. Bonds4

About 3-bromo-4-(4-methoxy-N-methylanilino)benzaldehyde

3-bromo-4-(4-methoxy-N-methylanilino)benzaldehyde (PubChem CID 114062202) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 3-bromo-4-(4-methoxy-N-methylanilino)benzaldehyde.

Molecular Properties

Compound Name3-bromo-4-(4-methoxy-N-methylanilino)benzaldehyde
PubChem CID114062202
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name3-bromo-4-(4-methoxy-N-methylanilino)benzaldehyde
SMILESCOc1ccc(N(C)c2ccc(C=O)cc2Br)cc1
InChIInChI=1S/C15H14BrNO2/c1-17(12-4-6-13(19-2)7-5-12)15-8-3-11(10-18)9-14(15)16/h3-10H,1-2H3
InChIKeyFEUFRNAXTBTKCW-UHFFFAOYSA-N
XLogP4.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dibromo-4-(4-methoxyphenoxy)benzaldehyde
CID 86660065
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
6-(4-methoxy-N-methylanilino)pyridine-3-carbaldehyde
CID 80638947
3-bromo-4-(4-methoxy-N-methylanilino)benzenecarboximidamide
CID 82799311
4-(N-[4-(N-(4-methoxyphenyl)anilino)phenyl]anilino)benzaldehyde
CID 22973932
3-chloro-4-(N,4-dimethylanilino)benzaldehyde
CID 81146280
2-bromo-N,N-bis(2-bromo-4-methoxyphenyl)-4-methoxyaniline
CID 13050087
4-[N-(4-formylphenyl)-4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methyl]anilino]benzaldehyde
CID 58214212
4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
CID 102018921
4-(N-(4-formylphenyl)anilino)benzaldehyde;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline;propane
CID 123717319
4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332
3-bromo-4-[2-methoxyethyl(2-methylpropyl)amino]benzaldehyde
CID 114062183

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(4-methoxy-N-methylanilino)benzaldehyde?
The IUPAC name of 3-bromo-4-(4-methoxy-N-methylanilino)benzaldehyde (CID 114062202) is 3-bromo-4-(4-methoxy-N-methylanilino)benzaldehyde.
What is the SMILES notation for 3-bromo-4-(4-methoxy-N-methylanilino)benzaldehyde?
The canonical SMILES for 3-bromo-4-(4-methoxy-N-methylanilino)benzaldehyde is COc1ccc(N(C)c2ccc(C=O)cc2Br)cc1.
What is the InChIKey of 3-bromo-4-(4-methoxy-N-methylanilino)benzaldehyde?
The InChIKey is FEUFRNAXTBTKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-17(12-4-6-13(19-2)7-5-12)15-8-3-11(10-18)9-14(15)16/h3-10H,1-2H3.
What are the key properties of 3-bromo-4-(4-methoxy-N-methylanilino)benzaldehyde?
3-bromo-4-(4-methoxy-N-methylanilino)benzaldehyde has a molecular weight of 320.19 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(4-methoxy-N-methylanilino)benzaldehyde is sourced from PubChem (CID 114062202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).