2-amino-2-phenylpropanal

C9H11NO — CID 54198990

IUPAC2-amino-2-phenylpropanal
SMILESCC(N)(C=O)c1ccccc1
InChIInChI=1S/C9H11NO/c1-9(10,7-11)8-5-3-2-4-6-8/h2-7H,10H2,1H3
InChIKeyZSXLUJGBLANQNU-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.06
Rot. Bonds2

About 2-amino-2-phenylpropanal

2-amino-2-phenylpropanal (PubChem CID 54198990) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-amino-2-phenylpropanal.

Molecular Properties

Compound Name2-amino-2-phenylpropanal
PubChem CID54198990
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2-amino-2-phenylpropanal
SMILESCC(N)(C=O)c1ccccc1
InChIInChI=1S/C9H11NO/c1-9(10,7-11)8-5-3-2-4-6-8/h2-7H,10H2,1H3
InChIKeyZSXLUJGBLANQNU-UHFFFAOYSA-N
XLogP1.06
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.06
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

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CID 3811580
CID 3811580
CID 6544471
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CID 257193
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CID 853457
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CID 12868228
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CID 231373
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CID 60795581
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CID 446207
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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenylpropanal?
The IUPAC name of 2-amino-2-phenylpropanal (CID 54198990) is 2-amino-2-phenylpropanal.
What is the SMILES notation for 2-amino-2-phenylpropanal?
The canonical SMILES for 2-amino-2-phenylpropanal is CC(N)(C=O)c1ccccc1.
What is the InChIKey of 2-amino-2-phenylpropanal?
The InChIKey is ZSXLUJGBLANQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-9(10,7-11)8-5-3-2-4-6-8/h2-7H,10H2,1H3.
What are the key properties of 2-amino-2-phenylpropanal?
2-amino-2-phenylpropanal has a molecular weight of 149.19 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenylpropanal is sourced from PubChem (CID 54198990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).