N-(diphenylphosphorylmethyl)-1-phenylmethanamine

C20H20NOP — CID 4603345

IUPACN-(diphenylphosphorylmethyl)-1-phenylmethanamine
SMILESO=P(CNCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20NOP/c22-23(19-12-6-2-7-13-19,20-14-8-3-9-15-20)17-21-16-18-10-4-1-5-11-18/h1-15,21H,16-17H2
InChIKeyIGRJDAQFEWKJJF-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.75
Rot. Bonds6

About N-(diphenylphosphorylmethyl)-1-phenylmethanamine

N-(diphenylphosphorylmethyl)-1-phenylmethanamine (PubChem CID 4603345) has the molecular formula C20H20NOP and a molecular weight of 321.36 g/mol. Its IUPAC name is N-(diphenylphosphorylmethyl)-1-phenylmethanamine.

Molecular Properties

Compound NameN-(diphenylphosphorylmethyl)-1-phenylmethanamine
PubChem CID4603345
Molecular FormulaC20H20NOP
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC NameN-(diphenylphosphorylmethyl)-1-phenylmethanamine
SMILESO=P(CNCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20NOP/c22-23(19-12-6-2-7-13-19,20-14-8-3-9-15-20)17-21-16-18-10-4-1-5-11-18/h1-15,21H,16-17H2
InChIKeyIGRJDAQFEWKJJF-UHFFFAOYSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.75
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)-1-phenylmethanamine?
The IUPAC name of N-(diphenylphosphorylmethyl)-1-phenylmethanamine (CID 4603345) is N-(diphenylphosphorylmethyl)-1-phenylmethanamine.
What is the SMILES notation for N-(diphenylphosphorylmethyl)-1-phenylmethanamine?
The canonical SMILES for N-(diphenylphosphorylmethyl)-1-phenylmethanamine is O=P(CNCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(diphenylphosphorylmethyl)-1-phenylmethanamine?
The InChIKey is IGRJDAQFEWKJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20NOP/c22-23(19-12-6-2-7-13-19,20-14-8-3-9-15-20)17-21-16-18-10-4-1-5-11-18/h1-15,21H,16-17H2.
What are the key properties of N-(diphenylphosphorylmethyl)-1-phenylmethanamine?
N-(diphenylphosphorylmethyl)-1-phenylmethanamine has a molecular weight of 321.36 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diphenylphosphorylmethyl)-1-phenylmethanamine is sourced from PubChem (CID 4603345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).