N-(diphenylphosphorylmethyl)ethanamine

C15H18NOP — CID 166606759

IUPACN-(diphenylphosphorylmethyl)ethanamine
SMILESCCNCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H18NOP/c1-2-16-13-18(17,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3
InChIKeyAKIJZBVXTQTNSI-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.57
Rot. Bonds5

About N-(diphenylphosphorylmethyl)ethanamine

N-(diphenylphosphorylmethyl)ethanamine (PubChem CID 166606759) has the molecular formula C15H18NOP and a molecular weight of 259.29 g/mol. Its IUPAC name is N-(diphenylphosphorylmethyl)ethanamine.

Molecular Properties

Compound NameN-(diphenylphosphorylmethyl)ethanamine
PubChem CID166606759
Molecular FormulaC15H18NOP
Molecular Weight259.29 g/mol
Exact Mass259.11
IUPAC NameN-(diphenylphosphorylmethyl)ethanamine
SMILESCCNCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H18NOP/c1-2-16-13-18(17,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3
InChIKeyAKIJZBVXTQTNSI-UHFFFAOYSA-N
XLogP2.57
TPSA29.10 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 ≤ 52.57
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 N-(diphenylphosphorylmethyl)ethanamine?
The IUPAC name of N-(diphenylphosphorylmethyl)ethanamine (CID 166606759) is N-(diphenylphosphorylmethyl)ethanamine.
What is the SMILES notation for N-(diphenylphosphorylmethyl)ethanamine?
The canonical SMILES for N-(diphenylphosphorylmethyl)ethanamine is CCNCP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(diphenylphosphorylmethyl)ethanamine?
The InChIKey is AKIJZBVXTQTNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18NOP/c1-2-16-13-18(17,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3.
What are the key properties of N-(diphenylphosphorylmethyl)ethanamine?
N-(diphenylphosphorylmethyl)ethanamine has a molecular weight of 259.29 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diphenylphosphorylmethyl)ethanamine is sourced from PubChem (CID 166606759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).