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

C17H17F2NO2 — CID 87737104

IUPAC5-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde
SMILESCN(C)CCOc1ccc(-c2c(F)cccc2F)cc1C=O
InChIInChI=1S/C17H17F2NO2/c1-20(2)8-9-22-16-7-6-12(10-13(16)11-21)17-14(18)4-3-5-15(17)19/h3-7,10-11H,8-9H2,1-2H3
InChIKeyAYAUCIDCBBELSL-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.38
Rot. Bonds6

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

5-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde (PubChem CID 87737104) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde
PubChem CID87737104
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Name5-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde
SMILESCN(C)CCOc1ccc(-c2c(F)cccc2F)cc1C=O
InChIInChI=1S/C17H17F2NO2/c1-20(2)8-9-22-16-7-6-12(10-13(16)11-21)17-14(18)4-3-5-15(17)19/h3-7,10-11H,8-9H2,1-2H3
InChIKeyAYAUCIDCBBELSL-UHFFFAOYSA-N
XLogP3.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.38
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
2-[2-(dimethylamino)ethoxy]-5-(4-methylphenyl)benzaldehyde
CID 87737379
5-(2-chlorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde
CID 87737077
2-[2-(dimethylamino)ethoxy]-4-(2-methylphenyl)benzaldehyde
CID 86601008
5-(2,6-difluorophenyl)-2-hydroxybenzaldehyde
CID 53220383
3-[2-[2-(dimethylamino)ethoxy]-5-(3,5-dimethylphenyl)phenyl]-1-(4-fluorophenyl)prop-2-en-1-one
CID 69218969
5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde
CID 116810898
4-[2-(dimethylamino)ethoxy]-3-fluorobenzenesulfonamide
CID 82921210
2-[5-(dimethylamino)pentoxy]benzaldehyde
CID 21404637
(1S)-1-[2-[2-(dimethylamino)ethoxy]-6-fluorophenyl]ethanamine
CID 78938210
5-phenyl-2-(2-phenylethoxy)benzaldehyde
CID 54795068
3-[4-[2-(dimethylamino)ethoxy]phenyl]-4-fluorobenzaldehyde
CID 39233423

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde?
The IUPAC name of 5-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde (CID 87737104) is 5-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde.
What is the SMILES notation for 5-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde?
The canonical SMILES for 5-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde is CN(C)CCOc1ccc(-c2c(F)cccc2F)cc1C=O.
What is the InChIKey of 5-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde?
The InChIKey is AYAUCIDCBBELSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c1-20(2)8-9-22-16-7-6-12(10-13(16)11-21)17-14(18)4-3-5-15(17)19/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 5-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde?
5-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde has a molecular weight of 305.32 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde is sourced from PubChem (CID 87737104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).