N-diphenylphosphanyl-2,2-dimethoxyethanamine

C16H20NO2P — CID 101031572

IUPACN-diphenylphosphanyl-2,2-dimethoxyethanamine
SMILESCOC(CNP(c1ccccc1)c1ccccc1)OC
InChIInChI=1S/C16H20NO2P/c1-18-16(19-2)13-17-20(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-17H,13H2,1-2H3
InChIKeyBKMPVHXTXQAYJQ-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.24
Rot. Bonds7

About N-diphenylphosphanyl-2,2-dimethoxyethanamine

N-diphenylphosphanyl-2,2-dimethoxyethanamine (PubChem CID 101031572) has the molecular formula C16H20NO2P and a molecular weight of 289.32 g/mol. Its IUPAC name is N-diphenylphosphanyl-2,2-dimethoxyethanamine.

Molecular Properties

Compound NameN-diphenylphosphanyl-2,2-dimethoxyethanamine
PubChem CID101031572
Molecular FormulaC16H20NO2P
Molecular Weight289.32 g/mol
Exact Mass289.12
IUPAC NameN-diphenylphosphanyl-2,2-dimethoxyethanamine
SMILESCOC(CNP(c1ccccc1)c1ccccc1)OC
InChIInChI=1S/C16H20NO2P/c1-18-16(19-2)13-17-20(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-17H,13H2,1-2H3
InChIKeyBKMPVHXTXQAYJQ-UHFFFAOYSA-N
XLogP2.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-diphenylphosphanyl-2,2-dimethoxyethanamine?
The IUPAC name of N-diphenylphosphanyl-2,2-dimethoxyethanamine (CID 101031572) is N-diphenylphosphanyl-2,2-dimethoxyethanamine.
What is the SMILES notation for N-diphenylphosphanyl-2,2-dimethoxyethanamine?
The canonical SMILES for N-diphenylphosphanyl-2,2-dimethoxyethanamine is COC(CNP(c1ccccc1)c1ccccc1)OC.
What is the InChIKey of N-diphenylphosphanyl-2,2-dimethoxyethanamine?
The InChIKey is BKMPVHXTXQAYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20NO2P/c1-18-16(19-2)13-17-20(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-17H,13H2,1-2H3.
What are the key properties of N-diphenylphosphanyl-2,2-dimethoxyethanamine?
N-diphenylphosphanyl-2,2-dimethoxyethanamine has a molecular weight of 289.32 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphanyl-2,2-dimethoxyethanamine is sourced from PubChem (CID 101031572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).