2-diphenylphosphanyl-N-[(2-methylsulfanylphenyl)methyl]ethanamine

C22H24NPS — CID 118256012

IUPAC2-diphenylphosphanyl-N-[(2-methylsulfanylphenyl)methyl]ethanamine
SMILESCSc1ccccc1CNCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24NPS/c1-25-22-15-9-8-10-19(22)18-23-16-17-24(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-15,23H,16-18H2,1H3
InChIKeyBXJASWZQJXJRBK-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.63
Rot. Bonds8

About 2-diphenylphosphanyl-N-[(2-methylsulfanylphenyl)methyl]ethanamine

2-diphenylphosphanyl-N-[(2-methylsulfanylphenyl)methyl]ethanamine (PubChem CID 118256012) has the molecular formula C22H24NPS and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-diphenylphosphanyl-N-[(2-methylsulfanylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-diphenylphosphanyl-N-[(2-methylsulfanylphenyl)methyl]ethanamine
PubChem CID118256012
Molecular FormulaC22H24NPS
Molecular Weight365.48 g/mol
Exact Mass365.14
IUPAC Name2-diphenylphosphanyl-N-[(2-methylsulfanylphenyl)methyl]ethanamine
SMILESCSc1ccccc1CNCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24NPS/c1-25-22-15-9-8-10-19(22)18-23-16-17-24(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-15,23H,16-18H2,1H3
InChIKeyBXJASWZQJXJRBK-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.63
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'}

Analyze 2-diphenylphosphanyl-N-[(2-methylsulfanylphenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanyl-N-[(2-methylsulfanylphenyl)methyl]ethanamine?
The IUPAC name of 2-diphenylphosphanyl-N-[(2-methylsulfanylphenyl)methyl]ethanamine (CID 118256012) is 2-diphenylphosphanyl-N-[(2-methylsulfanylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-diphenylphosphanyl-N-[(2-methylsulfanylphenyl)methyl]ethanamine?
The canonical SMILES for 2-diphenylphosphanyl-N-[(2-methylsulfanylphenyl)methyl]ethanamine is CSc1ccccc1CNCCP(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphanyl-N-[(2-methylsulfanylphenyl)methyl]ethanamine?
The InChIKey is BXJASWZQJXJRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24NPS/c1-25-22-15-9-8-10-19(22)18-23-16-17-24(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-15,23H,16-18H2,1H3.
What are the key properties of 2-diphenylphosphanyl-N-[(2-methylsulfanylphenyl)methyl]ethanamine?
2-diphenylphosphanyl-N-[(2-methylsulfanylphenyl)methyl]ethanamine has a molecular weight of 365.48 g/mol, XLogP of 4.63, 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-methylsulfanylphenyl)methyl]ethanamine is sourced from PubChem (CID 118256012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).