diphenyl(pyrrolidin-2-ylmethyl)phosphane

C17H20NP — CID 14641614

IUPACdiphenyl(pyrrolidin-2-ylmethyl)phosphane
SMILESc1ccc(P(CC2CCCN2)c2ccccc2)cc1
InChIInChI=1S/C17H20NP/c1-3-9-16(10-4-1)19(14-15-8-7-13-18-15)17-11-5-2-6-12-17/h1-6,9-12,15,18H,7-8,13-14H2
InChIKeyIWRBGJKCDORZHK-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.87
Rot. Bonds4

About diphenyl(pyrrolidin-2-ylmethyl)phosphane

diphenyl(pyrrolidin-2-ylmethyl)phosphane (PubChem CID 14641614) has the molecular formula C17H20NP and a molecular weight of 269.33 g/mol. Its IUPAC name is diphenyl(pyrrolidin-2-ylmethyl)phosphane.

Molecular Properties

Compound Namediphenyl(pyrrolidin-2-ylmethyl)phosphane
PubChem CID14641614
Molecular FormulaC17H20NP
Molecular Weight269.33 g/mol
Exact Mass269.13
IUPAC Namediphenyl(pyrrolidin-2-ylmethyl)phosphane
SMILESc1ccc(P(CC2CCCN2)c2ccccc2)cc1
InChIInChI=1S/C17H20NP/c1-3-9-16(10-4-1)19(14-15-8-7-13-18-15)17-11-5-2-6-12-17/h1-6,9-12,15,18H,7-8,13-14H2
InChIKeyIWRBGJKCDORZHK-UHFFFAOYSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl(pyrrolidin-2-ylmethyl)phosphane?
The IUPAC name of diphenyl(pyrrolidin-2-ylmethyl)phosphane (CID 14641614) is diphenyl(pyrrolidin-2-ylmethyl)phosphane.
What is the SMILES notation for diphenyl(pyrrolidin-2-ylmethyl)phosphane?
The canonical SMILES for diphenyl(pyrrolidin-2-ylmethyl)phosphane is c1ccc(P(CC2CCCN2)c2ccccc2)cc1.
What is the InChIKey of diphenyl(pyrrolidin-2-ylmethyl)phosphane?
The InChIKey is IWRBGJKCDORZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20NP/c1-3-9-16(10-4-1)19(14-15-8-7-13-18-15)17-11-5-2-6-12-17/h1-6,9-12,15,18H,7-8,13-14H2.
What are the key properties of diphenyl(pyrrolidin-2-ylmethyl)phosphane?
diphenyl(pyrrolidin-2-ylmethyl)phosphane has a molecular weight of 269.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl(pyrrolidin-2-ylmethyl)phosphane is sourced from PubChem (CID 14641614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).