1-diphenylphosphoryl-2-methylbutan-2-amine

C17H22NOP — CID 11659252

IUPAC1-diphenylphosphoryl-2-methylbutan-2-amine
SMILESCCC(C)(N)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H22NOP/c1-3-17(2,18)14-20(19,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,3,14,18H2,1-2H3
InChIKeyFMPJIEVKIQBYIU-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.13
Rot. Bonds5

About 1-diphenylphosphoryl-2-methylbutan-2-amine

1-diphenylphosphoryl-2-methylbutan-2-amine (PubChem CID 11659252) has the molecular formula C17H22NOP and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-diphenylphosphoryl-2-methylbutan-2-amine.

Molecular Properties

Compound Name1-diphenylphosphoryl-2-methylbutan-2-amine
PubChem CID11659252
Molecular FormulaC17H22NOP
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name1-diphenylphosphoryl-2-methylbutan-2-amine
SMILESCCC(C)(N)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H22NOP/c1-3-17(2,18)14-20(19,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,3,14,18H2,1-2H3
InChIKeyFMPJIEVKIQBYIU-UHFFFAOYSA-N
XLogP3.13
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phosphine oxide, butyldiphenyl-
CID 199471
Phosphine oxide, diphenyl(3-methylbutyl)-
CID 206259
(2-Methylpropyl)diphenylphosphine oxide
CID 3047249
Phosphine oxide, diphenylpentyl-
CID 13152584
(2S)-1-(Diphenylphosphanyl)-3-methylbutan-2-amine
CID 15145880
n-Tert-butyl-p,p-diphenylphosphinous amide
CID 266993
(S)-1-(Diphenylphosphino)-3,3-dimethylbutan-2-amine
CID 10731871
[(2R)-2-amino-3-methylbutyl]diphenylphosphane
CID 72376444
(2-Methylprop-2-en-1-yl)(oxo)diphenyl-lambda~5~-phosphane
CID 322145
[3-Methylbuta-1,2-dienyl(phenyl)phosphoryl]benzene
CID 11323131
tert-Butyldiphenylphosphine oxide
CID 521745
Phosphine oxide, hexyldiphenyl-
CID 10880678

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphoryl-2-methylbutan-2-amine?
The IUPAC name of 1-diphenylphosphoryl-2-methylbutan-2-amine (CID 11659252) is 1-diphenylphosphoryl-2-methylbutan-2-amine.
What is the SMILES notation for 1-diphenylphosphoryl-2-methylbutan-2-amine?
The canonical SMILES for 1-diphenylphosphoryl-2-methylbutan-2-amine is CCC(C)(N)CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenylphosphoryl-2-methylbutan-2-amine?
The InChIKey is FMPJIEVKIQBYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22NOP/c1-3-17(2,18)14-20(19,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,3,14,18H2,1-2H3.
What are the key properties of 1-diphenylphosphoryl-2-methylbutan-2-amine?
1-diphenylphosphoryl-2-methylbutan-2-amine has a molecular weight of 287.34 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphoryl-2-methylbutan-2-amine is sourced from PubChem (CID 11659252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).