3-[2-(diethylamino)phenyl]propanal

C13H19NO — CID 117293834

IUPAC3-[2-(diethylamino)phenyl]propanal
SMILESCCN(CC)c1ccccc1CCC=O
InChIInChI=1S/C13H19NO/c1-3-14(4-2)13-10-6-5-8-12(13)9-7-11-15/h5-6,8,10-11H,3-4,7,9H2,1-2H3
InChIKeyVOJSOCSLYARLEY-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.66
Rot. Bonds6

About 3-[2-(diethylamino)phenyl]propanal

3-[2-(diethylamino)phenyl]propanal (PubChem CID 117293834) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[2-(diethylamino)phenyl]propanal.

Molecular Properties

Compound Name3-[2-(diethylamino)phenyl]propanal
PubChem CID117293834
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-[2-(diethylamino)phenyl]propanal
SMILESCCN(CC)c1ccccc1CCC=O
InChIInChI=1S/C13H19NO/c1-3-14(4-2)13-10-6-5-8-12(13)9-7-11-15/h5-6,8,10-11H,3-4,7,9H2,1-2H3
InChIKeyVOJSOCSLYARLEY-UHFFFAOYSA-N
XLogP2.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(diethylamino)phenyl]propanoic acid
CID 28807035
3-[2-[methyl(propan-2-yl)amino]phenyl]propanal
CID 176690598
N,N-diethyl-2-tetradecylaniline
CID 174968548
N,N-diethyl-2-heptadecylaniline
CID 175210337
N,N-diethyl-2-pentadecylaniline;hydrochloride
CID 174968496
N,N-diethyl-2-nonadecylaniline;hydrochloride
CID 175368767
N,N-diethyl-2-octylaniline;hydrobromide
CID 175207974
N-[2-[2-(diethylamino)phenyl]ethyl]methanesulfonamide
CID 18921278
3-(2-methylphenyl)propanal
CID 15191870
N,N-diethyl-2-(methylaminomethyl)aniline
CID 43243693
3-(2-butylphenyl)propanal;propanal
CID 175603438
2-(2-aminoethyl)-N-ethyl-N-propylaniline
CID 63782884

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)phenyl]propanal?
The IUPAC name of 3-[2-(diethylamino)phenyl]propanal (CID 117293834) is 3-[2-(diethylamino)phenyl]propanal.
What is the SMILES notation for 3-[2-(diethylamino)phenyl]propanal?
The canonical SMILES for 3-[2-(diethylamino)phenyl]propanal is CCN(CC)c1ccccc1CCC=O.
What is the InChIKey of 3-[2-(diethylamino)phenyl]propanal?
The InChIKey is VOJSOCSLYARLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-14(4-2)13-10-6-5-8-12(13)9-7-11-15/h5-6,8,10-11H,3-4,7,9H2,1-2H3.
What are the key properties of 3-[2-(diethylamino)phenyl]propanal?
3-[2-(diethylamino)phenyl]propanal has a molecular weight of 205.30 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)phenyl]propanal is sourced from PubChem (CID 117293834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).