tert-butyl-[(2-ethylphenyl)methyl]-pyridin-2-ylphosphane

C18H24NP — CID 164765935

IUPACtert-butyl-[(2-ethylphenyl)methyl]-pyridin-2-ylphosphane
SMILESCCc1ccccc1CP(c1ccccn1)C(C)(C)C
InChIInChI=1S/C18H24NP/c1-5-15-10-6-7-11-16(15)14-20(18(2,3)4)17-12-8-9-13-19-17/h6-13H,5,14H2,1-4H3
InChIKeyGTEKFVMUTFQYBW-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.75
Rot. Bonds4

About tert-butyl-[(2-ethylphenyl)methyl]-pyridin-2-ylphosphane

tert-butyl-[(2-ethylphenyl)methyl]-pyridin-2-ylphosphane (PubChem CID 164765935) has the molecular formula C18H24NP and a molecular weight of 285.37 g/mol. Its IUPAC name is tert-butyl-[(2-ethylphenyl)methyl]-pyridin-2-ylphosphane.

Molecular Properties

Compound Nametert-butyl-[(2-ethylphenyl)methyl]-pyridin-2-ylphosphane
PubChem CID164765935
Molecular FormulaC18H24NP
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Nametert-butyl-[(2-ethylphenyl)methyl]-pyridin-2-ylphosphane
SMILESCCc1ccccc1CP(c1ccccn1)C(C)(C)C
InChIInChI=1S/C18H24NP/c1-5-15-10-6-7-11-16(15)14-20(18(2,3)4)17-12-8-9-13-19-17/h6-13H,5,14H2,1-4H3
InChIKeyGTEKFVMUTFQYBW-UHFFFAOYSA-N
XLogP4.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[2-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]-pyridin-2-ylphosphane
CID 126492794
tert-butyl-[[3-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]methyl]-pyridin-2-ylphosphane
CID 159836265
N-[(2-ethylphenyl)methyl]pyridin-2-amine
CID 64695521
tert-butyl-ethyl-pyrimidin-2-ylphosphane
CID 151408012
1,2-diethylbenzene;hydrobromide
CID 174973685
tert-butyl-cyclopenta-2,4-dien-1-yl-pyridin-2-ylphosphane
CID 126497398
chlorogold;bis(2-dipyridin-2-ylphosphanylethyl(dipyridin-2-yl)phosphane)
CID 15166408
ditert-butyl-[2-(dipyridin-2-ylphosphanylmethyl)-5-trimethylsilylphenyl]phosphane
CID 87343468
propane;2-pyridin-2-ylpyridine
CID 158168510
2-(2-ethylphenyl)-6-pyridin-2-ylpyridine
CID 163435471
2,3-diethylpyridine
CID 14747123
3-ethyl-2-(iodomethyl)pyridine
CID 166542162

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2-ethylphenyl)methyl]-pyridin-2-ylphosphane?
The IUPAC name of tert-butyl-[(2-ethylphenyl)methyl]-pyridin-2-ylphosphane (CID 164765935) is tert-butyl-[(2-ethylphenyl)methyl]-pyridin-2-ylphosphane.
What is the SMILES notation for tert-butyl-[(2-ethylphenyl)methyl]-pyridin-2-ylphosphane?
The canonical SMILES for tert-butyl-[(2-ethylphenyl)methyl]-pyridin-2-ylphosphane is CCc1ccccc1CP(c1ccccn1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2-ethylphenyl)methyl]-pyridin-2-ylphosphane?
The InChIKey is GTEKFVMUTFQYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24NP/c1-5-15-10-6-7-11-16(15)14-20(18(2,3)4)17-12-8-9-13-19-17/h6-13H,5,14H2,1-4H3.
What are the key properties of tert-butyl-[(2-ethylphenyl)methyl]-pyridin-2-ylphosphane?
tert-butyl-[(2-ethylphenyl)methyl]-pyridin-2-ylphosphane has a molecular weight of 285.37 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2-ethylphenyl)methyl]-pyridin-2-ylphosphane is sourced from PubChem (CID 164765935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).