2-[2-(dimethylamino)ethoxy]-5-(4-methylphenyl)benzaldehyde

C18H21NO2 — CID 87737379

IUPAC2-[2-(dimethylamino)ethoxy]-5-(4-methylphenyl)benzaldehyde
SMILESCc1ccc(-c2ccc(OCCN(C)C)c(C=O)c2)cc1
InChIInChI=1S/C18H21NO2/c1-14-4-6-15(7-5-14)16-8-9-18(17(12-16)13-20)21-11-10-19(2)3/h4-9,12-13H,10-11H2,1-3H3
InChIKeySWKCEJGBKVLXAW-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.41
Rot. Bonds6

About 2-[2-(dimethylamino)ethoxy]-5-(4-methylphenyl)benzaldehyde

2-[2-(dimethylamino)ethoxy]-5-(4-methylphenyl)benzaldehyde (PubChem CID 87737379) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-5-(4-methylphenyl)benzaldehyde.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-5-(4-methylphenyl)benzaldehyde
PubChem CID87737379
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-[2-(dimethylamino)ethoxy]-5-(4-methylphenyl)benzaldehyde
SMILESCc1ccc(-c2ccc(OCCN(C)C)c(C=O)c2)cc1
InChIInChI=1S/C18H21NO2/c1-14-4-6-15(7-5-14)16-8-9-18(17(12-16)13-20)21-11-10-19(2)3/h4-9,12-13H,10-11H2,1-3H3
InChIKeySWKCEJGBKVLXAW-UHFFFAOYSA-N
XLogP3.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.41
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

2-[2-(dimethylamino)ethoxy]-5-(2,4,6-trimethylphenyl)benzaldehyde
CID 87737926
5-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde
CID 87737104
5-(2-chlorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde
CID 87737077
2-[4-(2-formyl-4-methylphenoxy)butoxy]-5-methylbenzaldehyde
CID 51358055
2-[2-(dimethylamino)ethoxy]-4-(2-methylphenyl)benzaldehyde
CID 86601008
5-phenyl-2-(2-phenylethoxy)benzaldehyde
CID 54795068
3-[2-[2-(dimethylamino)ethoxy]-5-(3,5-dimethylphenyl)phenyl]-1-(4-fluorophenyl)prop-2-en-1-one
CID 69218969
3-[2-[2-(dimethylamino)ethoxy]-5-(3,5-dimethylphenyl)phenyl]-1-(3-hydroxyphenyl)prop-2-en-1-one
CID 69218021
5-[4-(dimethylamino)phenyl]-2-methoxybenzaldehyde
CID 54912342
5-(3,5-dimethylphenyl)-2-phenylmethoxybenzaldehyde
CID 172650078
2-(2-methylpropoxy)-5-phenylbenzaldehyde
CID 54795057
5-methyl-2-(2-phenoxyethoxy)benzaldehyde
CID 54794871

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-5-(4-methylphenyl)benzaldehyde?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-5-(4-methylphenyl)benzaldehyde (CID 87737379) is 2-[2-(dimethylamino)ethoxy]-5-(4-methylphenyl)benzaldehyde.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-5-(4-methylphenyl)benzaldehyde?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-5-(4-methylphenyl)benzaldehyde is Cc1ccc(-c2ccc(OCCN(C)C)c(C=O)c2)cc1.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-5-(4-methylphenyl)benzaldehyde?
The InChIKey is SWKCEJGBKVLXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-14-4-6-15(7-5-14)16-8-9-18(17(12-16)13-20)21-11-10-19(2)3/h4-9,12-13H,10-11H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethoxy]-5-(4-methylphenyl)benzaldehyde?
2-[2-(dimethylamino)ethoxy]-5-(4-methylphenyl)benzaldehyde has a molecular weight of 283.37 g/mol, XLogP of 3.41, 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-(4-methylphenyl)benzaldehyde is sourced from PubChem (CID 87737379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).