3-(dimethylamino)-2-phenylpropanal

C11H15NO — CID 174693852

IUPAC3-(dimethylamino)-2-phenylpropanal
SMILESCN(C)CC(C=O)c1ccccc1
InChIInChI=1S/C11H15NO/c1-12(2)8-11(9-13)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyNYBXQWFPQKBZJH-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.53
Rot. Bonds4

About 3-(dimethylamino)-2-phenylpropanal

3-(dimethylamino)-2-phenylpropanal (PubChem CID 174693852) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-(dimethylamino)-2-phenylpropanal.

Molecular Properties

Compound Name3-(dimethylamino)-2-phenylpropanal
PubChem CID174693852
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-(dimethylamino)-2-phenylpropanal
SMILESCN(C)CC(C=O)c1ccccc1
InChIInChI=1S/C11H15NO/c1-12(2)8-11(9-13)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyNYBXQWFPQKBZJH-UHFFFAOYSA-N
XLogP1.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(dimethylamino)-2-phenylpropanal 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

tert-butyl-(3-oxo-2-phenylpropyl)carbamic acid
CID 87311511
(1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine
CID 134927015
(2R)-N,N-dimethyl-2-phenylpropan-1-amine
CID 59474206
2-phenylpent-4-ynal
CID 14713497
tert-butyl (3S)-4-oxo-3-phenylbutanoate
CID 165121865
2-phenylbutanal;[(E)-prop-1-enyl]benzene
CID 23461088
(3-oxo-2-phenylpropyl) benzoate
CID 57075973
5-diazo-4-oxo-2-phenylpentanal
CID 100976622
(Z,2S)-2-phenylnon-6-enal
CID 135041742
N',N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62618546
5-methyl-2,6-diphenylhex-5-enal
CID 173438897
(1R,2R)-2-amino-3-(dimethylamino)-1-phenylpropan-1-ol
CID 58420104

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-phenylpropanal?
The IUPAC name of 3-(dimethylamino)-2-phenylpropanal (CID 174693852) is 3-(dimethylamino)-2-phenylpropanal.
What is the SMILES notation for 3-(dimethylamino)-2-phenylpropanal?
The canonical SMILES for 3-(dimethylamino)-2-phenylpropanal is CN(C)CC(C=O)c1ccccc1.
What is the InChIKey of 3-(dimethylamino)-2-phenylpropanal?
The InChIKey is NYBXQWFPQKBZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-12(2)8-11(9-13)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3.
What are the key properties of 3-(dimethylamino)-2-phenylpropanal?
3-(dimethylamino)-2-phenylpropanal has a molecular weight of 177.25 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-phenylpropanal is sourced from PubChem (CID 174693852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).