1-(2-diphenylphosphanylphenyl)-2-methylbutan-1-imine

C23H24NP — CID 139968155

IUPAC1-(2-diphenylphosphanylphenyl)-2-methylbutan-1-imine
SMILES[H]/N=C(/c1ccccc1P(c1ccccc1)c1ccccc1)C(C)CC
InChIInChI=1S/C23H24NP/c1-3-18(2)23(24)21-16-10-11-17-22(21)25(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-18,24H,3H2,1-2H3/b24-23+
InChIKeySIQGFOVIBJULME-WCWDXBQESA-N
MW345.43 g/mol
LogP4.86
Rot. Bonds6

About 1-(2-diphenylphosphanylphenyl)-2-methylbutan-1-imine

1-(2-diphenylphosphanylphenyl)-2-methylbutan-1-imine (PubChem CID 139968155) has the molecular formula C23H24NP and a molecular weight of 345.43 g/mol. Its IUPAC name is 1-(2-diphenylphosphanylphenyl)-2-methylbutan-1-imine.

Molecular Properties

Compound Name1-(2-diphenylphosphanylphenyl)-2-methylbutan-1-imine
PubChem CID139968155
Molecular FormulaC23H24NP
Molecular Weight345.43 g/mol
Exact Mass345.16
IUPAC Name1-(2-diphenylphosphanylphenyl)-2-methylbutan-1-imine
SMILES[H]/N=C(/c1ccccc1P(c1ccccc1)c1ccccc1)C(C)CC
InChIInChI=1S/C23H24NP/c1-3-18(2)23(24)21-16-10-11-17-22(21)25(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-18,24H,3H2,1-2H3/b24-23+
InChIKeySIQGFOVIBJULME-WCWDXBQESA-N
XLogP4.86
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.86
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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Related Compounds

1-(2-diphenylphosphanylphenyl)ethanimine
CID 139968166
2-methyl-1-phenylbutan-1-imine
CID 12072867
1-(2-diphenylphosphanylphenyl)-2-methylpropan-1-one
CID 146507667
[(3R)-hex-4-en-3-yl] 2-diphenylphosphanylbenzoate
CID 173037615
[(3S)-2-methylpent-1-en-3-yl] 2-diphenylphosphanylbenzoate
CID 102426255
2-diphenylphosphanyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 149362786
1-(2-diphenylphosphanylphenyl)propane-1,2-dione;rhodium
CID 175984938
[2-(2-diphenylphosphanylbenzoyl)phenyl]-methyl-diphenylphosphanium
CID 88589569
silver;2-diphenylphosphanyl-N,N-di(propan-2-yl)benzamide;acetate
CID 56949989
bis(2-diphenylphosphanylbenzoic acid);palladium(2+);dichloride
CID 10190846
1-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutan-1-imine
CID 165125525
butyl 2-diphenylphosphanylbenzoate
CID 87329990

Frequently Asked Questions

What is the IUPAC name of 1-(2-diphenylphosphanylphenyl)-2-methylbutan-1-imine?
The IUPAC name of 1-(2-diphenylphosphanylphenyl)-2-methylbutan-1-imine (CID 139968155) is 1-(2-diphenylphosphanylphenyl)-2-methylbutan-1-imine.
What is the SMILES notation for 1-(2-diphenylphosphanylphenyl)-2-methylbutan-1-imine?
The canonical SMILES for 1-(2-diphenylphosphanylphenyl)-2-methylbutan-1-imine is [H]/N=C(/c1ccccc1P(c1ccccc1)c1ccccc1)C(C)CC.
What is the InChIKey of 1-(2-diphenylphosphanylphenyl)-2-methylbutan-1-imine?
The InChIKey is SIQGFOVIBJULME-WCWDXBQESA-N. The full InChI is InChI=1S/C23H24NP/c1-3-18(2)23(24)21-16-10-11-17-22(21)25(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-18,24H,3H2,1-2H3/b24-23+.
What are the key properties of 1-(2-diphenylphosphanylphenyl)-2-methylbutan-1-imine?
1-(2-diphenylphosphanylphenyl)-2-methylbutan-1-imine has a molecular weight of 345.43 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diphenylphosphanylphenyl)-2-methylbutan-1-imine is sourced from PubChem (CID 139968155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).