2-diphenylphosphanyl-N-(2-methylsulfanylethyl)ethanamine

C17H22NPS — CID 118256123

IUPAC2-diphenylphosphanyl-N-(2-methylsulfanylethyl)ethanamine
SMILESCSCCNCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H22NPS/c1-20-15-13-18-12-14-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3
InChIKeyGCENQFUEGBIHHO-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.07
Rot. Bonds8

About 2-diphenylphosphanyl-N-(2-methylsulfanylethyl)ethanamine

2-diphenylphosphanyl-N-(2-methylsulfanylethyl)ethanamine (PubChem CID 118256123) has the molecular formula C17H22NPS and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-diphenylphosphanyl-N-(2-methylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name2-diphenylphosphanyl-N-(2-methylsulfanylethyl)ethanamine
PubChem CID118256123
Molecular FormulaC17H22NPS
Molecular Weight303.41 g/mol
Exact Mass303.12
IUPAC Name2-diphenylphosphanyl-N-(2-methylsulfanylethyl)ethanamine
SMILESCSCCNCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H22NPS/c1-20-15-13-18-12-14-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3
InChIKeyGCENQFUEGBIHHO-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanyl-N-(2-methylsulfanylethyl)ethanamine?
The IUPAC name of 2-diphenylphosphanyl-N-(2-methylsulfanylethyl)ethanamine (CID 118256123) is 2-diphenylphosphanyl-N-(2-methylsulfanylethyl)ethanamine.
What is the SMILES notation for 2-diphenylphosphanyl-N-(2-methylsulfanylethyl)ethanamine?
The canonical SMILES for 2-diphenylphosphanyl-N-(2-methylsulfanylethyl)ethanamine is CSCCNCCP(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphanyl-N-(2-methylsulfanylethyl)ethanamine?
The InChIKey is GCENQFUEGBIHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22NPS/c1-20-15-13-18-12-14-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3.
What are the key properties of 2-diphenylphosphanyl-N-(2-methylsulfanylethyl)ethanamine?
2-diphenylphosphanyl-N-(2-methylsulfanylethyl)ethanamine has a molecular weight of 303.41 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanyl-N-(2-methylsulfanylethyl)ethanamine is sourced from PubChem (CID 118256123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).