1-phenylethanimine

C8H9N — CID 11389383

IUPAC1-phenylethanimine
SMILES[H]/N=C(\C)c1ccccc1
InChIInChI=1S/C8H9N/c1-7(9)8-5-3-2-4-6-8/h2-6,9H,1H3/b9-7+
InChIKeyYNFWTLXJAGKJRB-VQHVLOKHSA-N
MW119.17 g/mol
LogP2.07
Rot. Bonds1

About 1-phenylethanimine

1-phenylethanimine (PubChem CID 11389383) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is 1-phenylethanimine.

Molecular Properties

Compound Name1-phenylethanimine
PubChem CID11389383
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name1-phenylethanimine
SMILES[H]/N=C(\C)c1ccccc1
InChIInChI=1S/C8H9N/c1-7(9)8-5-3-2-4-6-8/h2-6,9H,1H3/b9-7+
InChIKeyYNFWTLXJAGKJRB-VQHVLOKHSA-N
XLogP2.07
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenylethanimine?
The IUPAC name of 1-phenylethanimine (CID 11389383) is 1-phenylethanimine.
What is the SMILES notation for 1-phenylethanimine?
The canonical SMILES for 1-phenylethanimine is [H]/N=C(\C)c1ccccc1.
What is the InChIKey of 1-phenylethanimine?
The InChIKey is YNFWTLXJAGKJRB-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H9N/c1-7(9)8-5-3-2-4-6-8/h2-6,9H,1H3/b9-7+.
What are the key properties of 1-phenylethanimine?
1-phenylethanimine has a molecular weight of 119.17 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethanimine is sourced from PubChem (CID 11389383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).