N-(2-diphenylphosphorylethylideneamino)-N-methylmethanamine

C16H19N2OP — CID 86224855

IUPACN-(2-diphenylphosphorylethylideneamino)-N-methylmethanamine
SMILESCN(C)N=CCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19N2OP/c1-18(2)17-13-14-20(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13H,14H2,1-2H3
InChIKeyFYINVKDMNBXVBB-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.55
Rot. Bonds5

About N-(2-diphenylphosphorylethylideneamino)-N-methylmethanamine

N-(2-diphenylphosphorylethylideneamino)-N-methylmethanamine (PubChem CID 86224855) has the molecular formula C16H19N2OP and a molecular weight of 286.32 g/mol. Its IUPAC name is N-(2-diphenylphosphorylethylideneamino)-N-methylmethanamine.

Molecular Properties

Compound NameN-(2-diphenylphosphorylethylideneamino)-N-methylmethanamine
PubChem CID86224855
Molecular FormulaC16H19N2OP
Molecular Weight286.32 g/mol
Exact Mass286.12
IUPAC NameN-(2-diphenylphosphorylethylideneamino)-N-methylmethanamine
SMILESCN(C)N=CCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19N2OP/c1-18(2)17-13-14-20(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13H,14H2,1-2H3
InChIKeyFYINVKDMNBXVBB-UHFFFAOYSA-N
XLogP2.55
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-diphenylphosphorylethylideneamino)-N-methylmethanamine?
The IUPAC name of N-(2-diphenylphosphorylethylideneamino)-N-methylmethanamine (CID 86224855) is N-(2-diphenylphosphorylethylideneamino)-N-methylmethanamine.
What is the SMILES notation for N-(2-diphenylphosphorylethylideneamino)-N-methylmethanamine?
The canonical SMILES for N-(2-diphenylphosphorylethylideneamino)-N-methylmethanamine is CN(C)N=CCP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-diphenylphosphorylethylideneamino)-N-methylmethanamine?
The InChIKey is FYINVKDMNBXVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N2OP/c1-18(2)17-13-14-20(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13H,14H2,1-2H3.
What are the key properties of N-(2-diphenylphosphorylethylideneamino)-N-methylmethanamine?
N-(2-diphenylphosphorylethylideneamino)-N-methylmethanamine has a molecular weight of 286.32 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-diphenylphosphorylethylideneamino)-N-methylmethanamine is sourced from PubChem (CID 86224855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).