2-amino-2-phenylacetaldehyde

C8H9NO — CID 18948289

IUPAC2-amino-2-phenylacetaldehyde
SMILESNC(C=O)c1ccccc1
InChIInChI=1S/C8H9NO/c9-8(6-10)7-4-2-1-3-5-7/h1-6,8H,9H2
InChIKeyPCRFFXYXNNSCDH-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.89
Rot. Bonds2

About 2-amino-2-phenylacetaldehyde

2-amino-2-phenylacetaldehyde (PubChem CID 18948289) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-amino-2-phenylacetaldehyde.

Molecular Properties

Compound Name2-amino-2-phenylacetaldehyde
PubChem CID18948289
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name2-amino-2-phenylacetaldehyde
SMILESNC(C=O)c1ccccc1
InChIInChI=1S/C8H9NO/c9-8(6-10)7-4-2-1-3-5-7/h1-6,8H,9H2
InChIKeyPCRFFXYXNNSCDH-UHFFFAOYSA-N
XLogP0.89
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenylacetaldehyde?
The IUPAC name of 2-amino-2-phenylacetaldehyde (CID 18948289) is 2-amino-2-phenylacetaldehyde.
What is the SMILES notation for 2-amino-2-phenylacetaldehyde?
The canonical SMILES for 2-amino-2-phenylacetaldehyde is NC(C=O)c1ccccc1.
What is the InChIKey of 2-amino-2-phenylacetaldehyde?
The InChIKey is PCRFFXYXNNSCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c9-8(6-10)7-4-2-1-3-5-7/h1-6,8H,9H2.
What are the key properties of 2-amino-2-phenylacetaldehyde?
2-amino-2-phenylacetaldehyde has a molecular weight of 135.17 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenylacetaldehyde is sourced from PubChem (CID 18948289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).