4-(4-ethoxy-N-methylanilino)benzaldehyde

C16H17NO2 — CID 12657169

IUPAC4-(4-ethoxy-N-methylanilino)benzaldehyde
SMILESCCOc1ccc(N(C)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C16H17NO2/c1-3-19-16-10-8-15(9-11-16)17(2)14-6-4-13(12-18)5-7-14/h4-12H,3H2,1-2H3
InChIKeyDJNUHUMSXPKISX-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.67
Rot. Bonds5

About 4-(4-ethoxy-N-methylanilino)benzaldehyde

4-(4-ethoxy-N-methylanilino)benzaldehyde (PubChem CID 12657169) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(4-ethoxy-N-methylanilino)benzaldehyde.

Molecular Properties

Compound Name4-(4-ethoxy-N-methylanilino)benzaldehyde
PubChem CID12657169
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name4-(4-ethoxy-N-methylanilino)benzaldehyde
SMILESCCOc1ccc(N(C)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C16H17NO2/c1-3-19-16-10-8-15(9-11-16)17(2)14-6-4-13(12-18)5-7-14/h4-12H,3H2,1-2H3
InChIKeyDJNUHUMSXPKISX-UHFFFAOYSA-N
XLogP3.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.67
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

N-(4-ethoxyphenyl)-N,4-dimethylaniline
CID 20575987
4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 67837040
4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]aniline
CID 122211085
4-ethoxy-N,N-dimethylaniline
CID 3624890
4-[[(dimethylamino)methyl-dimethylsilyl]methoxy]benzaldehyde
CID 140721041
4-(N-[4-[2-[6-[2-[4-(N-(4-ethoxyphenyl)-4-methoxyanilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]phenyl]-4-methylanilino)benzaldehyde
CID 59905392
4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-diphenylaniline
CID 70499270
4-icosoxybenzaldehyde
CID 23127488
6-(4-methoxy-N-methylanilino)pyridine-3-carbaldehyde
CID 80638947
4-[4-(2-ethoxyethoxy)phenyl]benzaldehyde
CID 145127108
4-[N-(4-formylphenyl)-4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methyl]anilino]benzaldehyde
CID 58214212
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-N-methylanilino)benzaldehyde?
The IUPAC name of 4-(4-ethoxy-N-methylanilino)benzaldehyde (CID 12657169) is 4-(4-ethoxy-N-methylanilino)benzaldehyde.
What is the SMILES notation for 4-(4-ethoxy-N-methylanilino)benzaldehyde?
The canonical SMILES for 4-(4-ethoxy-N-methylanilino)benzaldehyde is CCOc1ccc(N(C)c2ccc(C=O)cc2)cc1.
What is the InChIKey of 4-(4-ethoxy-N-methylanilino)benzaldehyde?
The InChIKey is DJNUHUMSXPKISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-3-19-16-10-8-15(9-11-16)17(2)14-6-4-13(12-18)5-7-14/h4-12H,3H2,1-2H3.
What are the key properties of 4-(4-ethoxy-N-methylanilino)benzaldehyde?
4-(4-ethoxy-N-methylanilino)benzaldehyde has a molecular weight of 255.32 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-N-methylanilino)benzaldehyde is sourced from PubChem (CID 12657169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).