1-(2-dibutylphosphanylphenyl)-N-phenylmethanimine

C21H28NP — CID 139799850

IUPAC1-(2-dibutylphosphanylphenyl)-N-phenylmethanimine
SMILESCCCCP(CCCC)c1ccccc1/C=N/c1ccccc1
InChIInChI=1S/C21H28NP/c1-3-5-16-23(17-6-4-2)21-15-11-10-12-19(21)18-22-20-13-8-7-9-14-20/h7-15,18H,3-6,16-17H2,1-2H3/b22-18+
InChIKeyOCHAYPNYCOSQQF-RELWKKBWSA-N
MW325.44 g/mol
LogP6.14
Rot. Bonds9

About 1-(2-dibutylphosphanylphenyl)-N-phenylmethanimine

1-(2-dibutylphosphanylphenyl)-N-phenylmethanimine (PubChem CID 139799850) has the molecular formula C21H28NP and a molecular weight of 325.44 g/mol. Its IUPAC name is 1-(2-dibutylphosphanylphenyl)-N-phenylmethanimine.

Molecular Properties

Compound Name1-(2-dibutylphosphanylphenyl)-N-phenylmethanimine
PubChem CID139799850
Molecular FormulaC21H28NP
Molecular Weight325.44 g/mol
Exact Mass325.20
IUPAC Name1-(2-dibutylphosphanylphenyl)-N-phenylmethanimine
SMILESCCCCP(CCCC)c1ccccc1/C=N/c1ccccc1
InChIInChI=1S/C21H28NP/c1-3-5-16-23(17-6-4-2)21-15-11-10-12-19(21)18-22-20-13-8-7-9-14-20/h7-15,18H,3-6,16-17H2,1-2H3/b22-18+
InChIKeyOCHAYPNYCOSQQF-RELWKKBWSA-N
XLogP6.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.44
LogP ≤ 56.14
H-Bond Donors ≤ 50
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 1-(2-dibutylphosphanylphenyl)-N-phenylmethanimine?
The IUPAC name of 1-(2-dibutylphosphanylphenyl)-N-phenylmethanimine (CID 139799850) is 1-(2-dibutylphosphanylphenyl)-N-phenylmethanimine.
What is the SMILES notation for 1-(2-dibutylphosphanylphenyl)-N-phenylmethanimine?
The canonical SMILES for 1-(2-dibutylphosphanylphenyl)-N-phenylmethanimine is CCCCP(CCCC)c1ccccc1/C=N/c1ccccc1.
What is the InChIKey of 1-(2-dibutylphosphanylphenyl)-N-phenylmethanimine?
The InChIKey is OCHAYPNYCOSQQF-RELWKKBWSA-N. The full InChI is InChI=1S/C21H28NP/c1-3-5-16-23(17-6-4-2)21-15-11-10-12-19(21)18-22-20-13-8-7-9-14-20/h7-15,18H,3-6,16-17H2,1-2H3/b22-18+.
What are the key properties of 1-(2-dibutylphosphanylphenyl)-N-phenylmethanimine?
1-(2-dibutylphosphanylphenyl)-N-phenylmethanimine has a molecular weight of 325.44 g/mol, XLogP of 6.14, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-dibutylphosphanylphenyl)-N-phenylmethanimine is sourced from PubChem (CID 139799850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).