ethylphosphanyl(phenyl)methanimine

C9H12NP — CID 71405606

IUPACethylphosphanyl(phenyl)methanimine
SMILES[H]/N=C(\PCC)c1ccccc1
InChIInChI=1S/C9H12NP/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7,10-11H,2H2,1H3/b10-9-
InChIKeyNKQKRKZETVFYCJ-KTKRTIGZSA-N
MW165.18 g/mol
LogP2.71
Rot. Bonds3

About ethylphosphanyl(phenyl)methanimine

ethylphosphanyl(phenyl)methanimine (PubChem CID 71405606) has the molecular formula C9H12NP and a molecular weight of 165.18 g/mol. Its IUPAC name is ethylphosphanyl(phenyl)methanimine.

Molecular Properties

Compound Nameethylphosphanyl(phenyl)methanimine
PubChem CID71405606
Molecular FormulaC9H12NP
Molecular Weight165.18 g/mol
Exact Mass165.07
IUPAC Nameethylphosphanyl(phenyl)methanimine
SMILES[H]/N=C(\PCC)c1ccccc1
InChIInChI=1S/C9H12NP/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7,10-11H,2H2,1H3/b10-9-
InChIKeyNKQKRKZETVFYCJ-KTKRTIGZSA-N
XLogP2.71
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethylphosphanyl(phenyl)methanimine?
The IUPAC name of ethylphosphanyl(phenyl)methanimine (CID 71405606) is ethylphosphanyl(phenyl)methanimine.
What is the SMILES notation for ethylphosphanyl(phenyl)methanimine?
The canonical SMILES for ethylphosphanyl(phenyl)methanimine is [H]/N=C(\PCC)c1ccccc1.
What is the InChIKey of ethylphosphanyl(phenyl)methanimine?
The InChIKey is NKQKRKZETVFYCJ-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H12NP/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7,10-11H,2H2,1H3/b10-9-.
What are the key properties of ethylphosphanyl(phenyl)methanimine?
ethylphosphanyl(phenyl)methanimine has a molecular weight of 165.18 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylphosphanyl(phenyl)methanimine is sourced from PubChem (CID 71405606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).