2-(ethylamino)-3-phenylpropanal

C11H15NO — CID 3325220

IUPAC2-(ethylamino)-3-phenylpropanal
SMILESCCNC(C=O)Cc1ccccc1
InChIInChI=1S/C11H15NO/c1-2-12-11(9-13)8-10-6-4-3-5-7-10/h3-7,9,11-12H,2,8H2,1H3
InChIKeyVZZLSNMWFMAXGJ-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.41
Rot. Bonds5

About 2-(ethylamino)-3-phenylpropanal

2-(ethylamino)-3-phenylpropanal (PubChem CID 3325220) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(ethylamino)-3-phenylpropanal.

Molecular Properties

Compound Name2-(ethylamino)-3-phenylpropanal
PubChem CID3325220
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-(ethylamino)-3-phenylpropanal
SMILESCCNC(C=O)Cc1ccccc1
InChIInChI=1S/C11H15NO/c1-2-12-11(9-13)8-10-6-4-3-5-7-10/h3-7,9,11-12H,2,8H2,1H3
InChIKeyVZZLSNMWFMAXGJ-UHFFFAOYSA-N
XLogP1.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(methylamino)-3-phenylpropanal
CID 22820878
acetic acid;N-ethyl-1-phenylpropan-2-amine
CID 22214099
N-[(2S)-1-oxo-3-phenylpropan-2-yl]tridecanamide
CID 54078231
N-[(2S)-1-oxo-3-phenylpropan-2-yl]dodecanamide
CID 54543397
methane;methanol;2-(1-phenylbut-3-en-2-ylamino)pentanal
CID 142163742
(2S)-3-phenyl-2-[tritio(trityl)amino]propanal
CID 173343799
2-bromo-3-phenylpropanal;ethane
CID 90858202
1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine
CID 55188118
N-(1-oxo-3-phenylpropan-2-yl)cyclopropanecarboxamide
CID 142081270
2-amino-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide;copper
CID 173080162
[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]-3-phenylpropan-2-yl]carbamic acid
CID 134556289
[difluoro-[(1-oxo-3-phenylpropan-2-yl)amino]methyl]phosphonic acid
CID 173298475

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-phenylpropanal?
The IUPAC name of 2-(ethylamino)-3-phenylpropanal (CID 3325220) is 2-(ethylamino)-3-phenylpropanal.
What is the SMILES notation for 2-(ethylamino)-3-phenylpropanal?
The canonical SMILES for 2-(ethylamino)-3-phenylpropanal is CCNC(C=O)Cc1ccccc1.
What is the InChIKey of 2-(ethylamino)-3-phenylpropanal?
The InChIKey is VZZLSNMWFMAXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-12-11(9-13)8-10-6-4-3-5-7-10/h3-7,9,11-12H,2,8H2,1H3.
What are the key properties of 2-(ethylamino)-3-phenylpropanal?
2-(ethylamino)-3-phenylpropanal has a molecular weight of 177.25 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-phenylpropanal is sourced from PubChem (CID 3325220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).