2-[2-(dimethylamino)ethoxy]-5-(2,4,6-trimethylphenyl)benzaldehyde

C20H25NO2 — CID 87737926

IUPAC2-[2-(dimethylamino)ethoxy]-5-(2,4,6-trimethylphenyl)benzaldehyde
SMILESCc1cc(C)c(-c2ccc(OCCN(C)C)c(C=O)c2)c(C)c1
InChIInChI=1S/C20H25NO2/c1-14-10-15(2)20(16(3)11-14)17-6-7-19(18(12-17)13-22)23-9-8-21(4)5/h6-7,10-13H,8-9H2,1-5H3
InChIKeyYAXCKMSRQXULBY-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.03
Rot. Bonds6

About 2-[2-(dimethylamino)ethoxy]-5-(2,4,6-trimethylphenyl)benzaldehyde

2-[2-(dimethylamino)ethoxy]-5-(2,4,6-trimethylphenyl)benzaldehyde (PubChem CID 87737926) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-5-(2,4,6-trimethylphenyl)benzaldehyde.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-5-(2,4,6-trimethylphenyl)benzaldehyde
PubChem CID87737926
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-[2-(dimethylamino)ethoxy]-5-(2,4,6-trimethylphenyl)benzaldehyde
SMILESCc1cc(C)c(-c2ccc(OCCN(C)C)c(C=O)c2)c(C)c1
InChIInChI=1S/C20H25NO2/c1-14-10-15(2)20(16(3)11-14)17-6-7-19(18(12-17)13-22)23-9-8-21(4)5/h6-7,10-13H,8-9H2,1-5H3
InChIKeyYAXCKMSRQXULBY-UHFFFAOYSA-N
XLogP4.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-5-(2,4,6-trimethylphenyl)benzaldehyde?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-5-(2,4,6-trimethylphenyl)benzaldehyde (CID 87737926) is 2-[2-(dimethylamino)ethoxy]-5-(2,4,6-trimethylphenyl)benzaldehyde.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-5-(2,4,6-trimethylphenyl)benzaldehyde?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-5-(2,4,6-trimethylphenyl)benzaldehyde is Cc1cc(C)c(-c2ccc(OCCN(C)C)c(C=O)c2)c(C)c1.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-5-(2,4,6-trimethylphenyl)benzaldehyde?
The InChIKey is YAXCKMSRQXULBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-14-10-15(2)20(16(3)11-14)17-6-7-19(18(12-17)13-22)23-9-8-21(4)5/h6-7,10-13H,8-9H2,1-5H3.
What are the key properties of 2-[2-(dimethylamino)ethoxy]-5-(2,4,6-trimethylphenyl)benzaldehyde?
2-[2-(dimethylamino)ethoxy]-5-(2,4,6-trimethylphenyl)benzaldehyde has a molecular weight of 311.43 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-5-(2,4,6-trimethylphenyl)benzaldehyde is sourced from PubChem (CID 87737926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).