(E)-3-[2-(diethylamino)phenyl]prop-2-enal

C13H17NO — CID 87134709

IUPAC(E)-3-[2-(diethylamino)phenyl]prop-2-enal
SMILESCCN(CC)c1ccccc1/C=C/C=O
InChIInChI=1S/C13H17NO/c1-3-14(4-2)13-10-6-5-8-12(13)9-7-11-15/h5-11H,3-4H2,1-2H3/b9-7+
InChIKeyDYFDMIFRMUWSOQ-VQHVLOKHSA-N
MW203.29 g/mol
LogP2.74
Rot. Bonds5

About (E)-3-[2-(diethylamino)phenyl]prop-2-enal

(E)-3-[2-(diethylamino)phenyl]prop-2-enal (PubChem CID 87134709) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (E)-3-[2-(diethylamino)phenyl]prop-2-enal.

Molecular Properties

Compound Name(E)-3-[2-(diethylamino)phenyl]prop-2-enal
PubChem CID87134709
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(E)-3-[2-(diethylamino)phenyl]prop-2-enal
SMILESCCN(CC)c1ccccc1/C=C/C=O
InChIInChI=1S/C13H17NO/c1-3-14(4-2)13-10-6-5-8-12(13)9-7-11-15/h5-11H,3-4H2,1-2H3/b9-7+
InChIKeyDYFDMIFRMUWSOQ-VQHVLOKHSA-N
XLogP2.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[2-(diethylamino)phenyl]prop-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(diethylamino)phenyl]-N,N-diethylaniline
CID 158417392
3-[2-[(Z)-pent-1-enyl]phenyl]prop-2-enal
CID 174271476
(E)-3-[2-[(Z)-pent-1-enyl]phenyl]prop-2-enal
CID 173321870
N,N-diethyl-2-[2-[4-[2-(2-methylphenyl)ethenyl]phenyl]ethenyl]aniline
CID 58518822
2-[(E)-2-anthracen-1-ylethenyl]-N,N-diethylaniline
CID 87767218
3-(diethylamino)-2-methylbenzaldehyde
CID 88960180
(E)-3-(2-pentylphenyl)prop-2-enal
CID 22717371
3-[2-(diethylamino)phenyl]propanal
CID 117293834
3-[2-[ethyl(2-ethylbutyl)amino]phenyl]prop-2-enoic acid
CID 76999947
3-[2-(hydroxyiminomethyl)phenyl]prop-2-enal
CID 169459162
5-(2-propylphenyl)penta-2,4-dienal
CID 175798956
(Z)-3-[2-[[2-[(E)-3-oxoprop-1-enyl]phenyl]ditellanyl]phenyl]prop-2-enal
CID 171377940

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(diethylamino)phenyl]prop-2-enal?
The IUPAC name of (E)-3-[2-(diethylamino)phenyl]prop-2-enal (CID 87134709) is (E)-3-[2-(diethylamino)phenyl]prop-2-enal.
What is the SMILES notation for (E)-3-[2-(diethylamino)phenyl]prop-2-enal?
The canonical SMILES for (E)-3-[2-(diethylamino)phenyl]prop-2-enal is CCN(CC)c1ccccc1/C=C/C=O.
What is the InChIKey of (E)-3-[2-(diethylamino)phenyl]prop-2-enal?
The InChIKey is DYFDMIFRMUWSOQ-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-14(4-2)13-10-6-5-8-12(13)9-7-11-15/h5-11H,3-4H2,1-2H3/b9-7+.
What are the key properties of (E)-3-[2-(diethylamino)phenyl]prop-2-enal?
(E)-3-[2-(diethylamino)phenyl]prop-2-enal has a molecular weight of 203.29 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(diethylamino)phenyl]prop-2-enal is sourced from PubChem (CID 87134709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).