2-[4-[2-(diethylamino)ethoxy]phenyl]acetaldehyde

C14H21NO2 — CID 86033023

IUPAC2-[4-[2-(diethylamino)ethoxy]phenyl]acetaldehyde
SMILESCCN(CC)CCOc1ccc(CC=O)cc1
InChIInChI=1S/C14H21NO2/c1-3-15(4-2)10-12-17-14-7-5-13(6-8-14)9-11-16/h5-8,11H,3-4,9-10,12H2,1-2H3
InChIKeyPSPQBMCMUAOXAN-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.15
Rot. Bonds8

About 2-[4-[2-(diethylamino)ethoxy]phenyl]acetaldehyde

2-[4-[2-(diethylamino)ethoxy]phenyl]acetaldehyde (PubChem CID 86033023) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[4-[2-(diethylamino)ethoxy]phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[4-[2-(diethylamino)ethoxy]phenyl]acetaldehyde
PubChem CID86033023
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[4-[2-(diethylamino)ethoxy]phenyl]acetaldehyde
SMILESCCN(CC)CCOc1ccc(CC=O)cc1
InChIInChI=1S/C14H21NO2/c1-3-15(4-2)10-12-17-14-7-5-13(6-8-14)9-11-16/h5-8,11H,3-4,9-10,12H2,1-2H3
InChIKeyPSPQBMCMUAOXAN-UHFFFAOYSA-N
XLogP2.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.15
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-[4-[2-(diethylamino)ethoxy]phenyl]ethanamine
CID 10752321
2-[4-(3-bromopropoxy)phenyl]acetaldehyde
CID 87720653
N,N-diethyl-2-(4-fluorophenoxy)ethanamine
CID 867210
1-[4-[2-(diethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine
CID 3079535
2-[4-[(E)-3-[4-[2-(diethylamino)ethoxy]phenyl]but-2-en-2-yl]phenoxy]-N,N-diethylethanamine
CID 3038049
[4-[2-(diethylamino)ethoxy]phenyl] propanoate
CID 90991611
4-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-ol
CID 43504128
2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine
CID 21318117
N,N-diethyl-2-[4-(2-oxoethyl)phenoxy]acetamide
CID 82362951
8-[4-(diethylaminomethyl)phenoxy]-N,N-diethyloctan-1-amine
CID 46890082
4-[4-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine
CID 21465327
N-ethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]propan-1-amine
CID 55074636

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(diethylamino)ethoxy]phenyl]acetaldehyde?
The IUPAC name of 2-[4-[2-(diethylamino)ethoxy]phenyl]acetaldehyde (CID 86033023) is 2-[4-[2-(diethylamino)ethoxy]phenyl]acetaldehyde.
What is the SMILES notation for 2-[4-[2-(diethylamino)ethoxy]phenyl]acetaldehyde?
The canonical SMILES for 2-[4-[2-(diethylamino)ethoxy]phenyl]acetaldehyde is CCN(CC)CCOc1ccc(CC=O)cc1.
What is the InChIKey of 2-[4-[2-(diethylamino)ethoxy]phenyl]acetaldehyde?
The InChIKey is PSPQBMCMUAOXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-15(4-2)10-12-17-14-7-5-13(6-8-14)9-11-16/h5-8,11H,3-4,9-10,12H2,1-2H3.
What are the key properties of 2-[4-[2-(diethylamino)ethoxy]phenyl]acetaldehyde?
2-[4-[2-(diethylamino)ethoxy]phenyl]acetaldehyde has a molecular weight of 235.33 g/mol, XLogP of 2.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(diethylamino)ethoxy]phenyl]acetaldehyde is sourced from PubChem (CID 86033023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).