2-(dimethylamino)-3-phenylpropanal

C11H15NO — CID 19361863

IUPAC2-(dimethylamino)-3-phenylpropanal
SMILESCN(C)C(C=O)Cc1ccccc1
InChIInChI=1S/C11H15NO/c1-12(2)11(9-13)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyZNYFCTLUVHLJDE-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.36
Rot. Bonds4

About 2-(dimethylamino)-3-phenylpropanal

2-(dimethylamino)-3-phenylpropanal (PubChem CID 19361863) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(dimethylamino)-3-phenylpropanal.

Molecular Properties

Compound Name2-(dimethylamino)-3-phenylpropanal
PubChem CID19361863
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-(dimethylamino)-3-phenylpropanal
SMILESCN(C)C(C=O)Cc1ccccc1
InChIInChI=1S/C11H15NO/c1-12(2)11(9-13)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyZNYFCTLUVHLJDE-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
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

methyl-[(2R)-1-oxo-3-phenylpropan-2-yl]carbamic acid
CID 140983317
2-(dimethylamino)-3-(4-hydroxyphenyl)propanal
CID 177035861
2-bromo-3-phenylpropanal;ethane
CID 90858202
2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)-5-phenylpentanal
CID 87659120
(2S)-2-benzyl-3-methylbutanal
CID 12021275
(2R)-2-iodo-3-phenylpropanal
CID 53487128
(2S)-2-benzyl-3,3-dimethylbutanal
CID 12021277
(2S)-2-(methylamino)-3-phenylpropanal
CID 22820878
N,N-dimethylmethanamine;2-phenylacetaldehyde
CID 87974312
formic acid;2-methylpropylbenzene
CID 162001374
N,N-dimethyl-1-phenylbutan-2-amine
CID 14527584
N,N-dimethyl-1-phenylpropan-2-amine;iodomethane
CID 23619188

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-phenylpropanal?
The IUPAC name of 2-(dimethylamino)-3-phenylpropanal (CID 19361863) is 2-(dimethylamino)-3-phenylpropanal.
What is the SMILES notation for 2-(dimethylamino)-3-phenylpropanal?
The canonical SMILES for 2-(dimethylamino)-3-phenylpropanal is CN(C)C(C=O)Cc1ccccc1.
What is the InChIKey of 2-(dimethylamino)-3-phenylpropanal?
The InChIKey is ZNYFCTLUVHLJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-12(2)11(9-13)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3.
What are the key properties of 2-(dimethylamino)-3-phenylpropanal?
2-(dimethylamino)-3-phenylpropanal has a molecular weight of 177.25 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-phenylpropanal is sourced from PubChem (CID 19361863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).