2-(dimethylamino)-6-(2-pyrrolidin-1-ylethoxy)benzaldehyde

C15H22N2O2 — CID 58006139

IUPAC2-(dimethylamino)-6-(2-pyrrolidin-1-ylethoxy)benzaldehyde
SMILESCN(C)c1cccc(OCCN2CCCC2)c1C=O
InChIInChI=1S/C15H22N2O2/c1-16(2)14-6-5-7-15(13(14)12-18)19-11-10-17-8-3-4-9-17/h5-7,12H,3-4,8-11H2,1-2H3
InChIKeyPHRICBVCDXFOFG-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.04
Rot. Bonds6

About 2-(dimethylamino)-6-(2-pyrrolidin-1-ylethoxy)benzaldehyde

2-(dimethylamino)-6-(2-pyrrolidin-1-ylethoxy)benzaldehyde (PubChem CID 58006139) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(dimethylamino)-6-(2-pyrrolidin-1-ylethoxy)benzaldehyde.

Molecular Properties

Compound Name2-(dimethylamino)-6-(2-pyrrolidin-1-ylethoxy)benzaldehyde
PubChem CID58006139
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(dimethylamino)-6-(2-pyrrolidin-1-ylethoxy)benzaldehyde
SMILESCN(C)c1cccc(OCCN2CCCC2)c1C=O
InChIInChI=1S/C15H22N2O2/c1-16(2)14-6-5-7-15(13(14)12-18)19-11-10-17-8-3-4-9-17/h5-7,12H,3-4,8-11H2,1-2H3
InChIKeyPHRICBVCDXFOFG-UHFFFAOYSA-N
XLogP2.04
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-(2-morpholin-4-ylethoxy)aniline
CID 147491623
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
N,N-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine
CID 170866493
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 58154732
2-ethyl-5-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-one
CID 43985507
1,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 70189484
2,2-dimethyl-5-[[2-(2-piperidin-1-ylethoxy)phenyl]methylidene]-1,3-dioxane-4,6-dione
CID 168599807
1-[2-(2-propylphenoxy)ethyl]pyrrolidine
CID 173254301
1,2-bis[2-[2-(azocan-1-yl)ethoxy]phenyl]ethane-1,2-dione
CID 21486308
3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-2-one
CID 82056047

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-(2-pyrrolidin-1-ylethoxy)benzaldehyde?
The IUPAC name of 2-(dimethylamino)-6-(2-pyrrolidin-1-ylethoxy)benzaldehyde (CID 58006139) is 2-(dimethylamino)-6-(2-pyrrolidin-1-ylethoxy)benzaldehyde.
What is the SMILES notation for 2-(dimethylamino)-6-(2-pyrrolidin-1-ylethoxy)benzaldehyde?
The canonical SMILES for 2-(dimethylamino)-6-(2-pyrrolidin-1-ylethoxy)benzaldehyde is CN(C)c1cccc(OCCN2CCCC2)c1C=O.
What is the InChIKey of 2-(dimethylamino)-6-(2-pyrrolidin-1-ylethoxy)benzaldehyde?
The InChIKey is PHRICBVCDXFOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-16(2)14-6-5-7-15(13(14)12-18)19-11-10-17-8-3-4-9-17/h5-7,12H,3-4,8-11H2,1-2H3.
What are the key properties of 2-(dimethylamino)-6-(2-pyrrolidin-1-ylethoxy)benzaldehyde?
2-(dimethylamino)-6-(2-pyrrolidin-1-ylethoxy)benzaldehyde has a molecular weight of 262.35 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-(2-pyrrolidin-1-ylethoxy)benzaldehyde is sourced from PubChem (CID 58006139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).