3-diphenylphosphorylpropan-1-amine

C15H18NOP — CID 11230689

IUPAC3-diphenylphosphorylpropan-1-amine
SMILESNCCCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H18NOP/c16-12-7-13-18(17,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13,16H2
InChIKeyCXZVXXQDBGKRIM-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.35
Rot. Bonds5

About 3-diphenylphosphorylpropan-1-amine

3-diphenylphosphorylpropan-1-amine (PubChem CID 11230689) has the molecular formula C15H18NOP and a molecular weight of 259.29 g/mol. Its IUPAC name is 3-diphenylphosphorylpropan-1-amine.

Molecular Properties

Compound Name3-diphenylphosphorylpropan-1-amine
PubChem CID11230689
Molecular FormulaC15H18NOP
Molecular Weight259.29 g/mol
Exact Mass259.11
IUPAC Name3-diphenylphosphorylpropan-1-amine
SMILESNCCCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H18NOP/c16-12-7-13-18(17,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13,16H2
InChIKeyCXZVXXQDBGKRIM-UHFFFAOYSA-N
XLogP2.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-diphenylphosphorylpropan-1-amine?
The IUPAC name of 3-diphenylphosphorylpropan-1-amine (CID 11230689) is 3-diphenylphosphorylpropan-1-amine.
What is the SMILES notation for 3-diphenylphosphorylpropan-1-amine?
The canonical SMILES for 3-diphenylphosphorylpropan-1-amine is NCCCP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-diphenylphosphorylpropan-1-amine?
The InChIKey is CXZVXXQDBGKRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18NOP/c16-12-7-13-18(17,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13,16H2.
What are the key properties of 3-diphenylphosphorylpropan-1-amine?
3-diphenylphosphorylpropan-1-amine has a molecular weight of 259.29 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphorylpropan-1-amine is sourced from PubChem (CID 11230689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).