N,N-bis(2-diphenylphosphanylethyl)-2-methoxyethanamine

C31H35NOP2 — CID 11340989

IUPACN,N-bis(2-diphenylphosphanylethyl)-2-methoxyethanamine
SMILESCOCCN(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H35NOP2/c1-33-25-22-32(23-26-34(28-14-6-2-7-15-28)29-16-8-3-9-17-29)24-27-35(30-18-10-4-11-19-30)31-20-12-5-13-21-31/h2-21H,22-27H2,1H3
InChIKeyDWZWXRYWRGAMLE-UHFFFAOYSA-N
MW499.58 g/mol
LogP5.20
Rot. Bonds13

About N,N-bis(2-diphenylphosphanylethyl)-2-methoxyethanamine

N,N-bis(2-diphenylphosphanylethyl)-2-methoxyethanamine (PubChem CID 11340989) has the molecular formula C31H35NOP2 and a molecular weight of 499.58 g/mol. Its IUPAC name is N,N-bis(2-diphenylphosphanylethyl)-2-methoxyethanamine.

Molecular Properties

Compound NameN,N-bis(2-diphenylphosphanylethyl)-2-methoxyethanamine
PubChem CID11340989
Molecular FormulaC31H35NOP2
Molecular Weight499.58 g/mol
Exact Mass499.22
IUPAC NameN,N-bis(2-diphenylphosphanylethyl)-2-methoxyethanamine
SMILESCOCCN(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H35NOP2/c1-33-25-22-32(23-26-34(28-14-6-2-7-15-28)29-16-8-3-9-17-29)24-27-35(30-18-10-4-11-19-30)31-20-12-5-13-21-31/h2-21H,22-27H2,1H3
InChIKeyDWZWXRYWRGAMLE-UHFFFAOYSA-N
XLogP5.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.58
LogP ≤ 55.20
H-Bond Donors ≤ 50
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,N-bis(2-diphenylphosphanylethyl)-2-methoxyethanamine?
The IUPAC name of N,N-bis(2-diphenylphosphanylethyl)-2-methoxyethanamine (CID 11340989) is N,N-bis(2-diphenylphosphanylethyl)-2-methoxyethanamine.
What is the SMILES notation for N,N-bis(2-diphenylphosphanylethyl)-2-methoxyethanamine?
The canonical SMILES for N,N-bis(2-diphenylphosphanylethyl)-2-methoxyethanamine is COCCN(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-bis(2-diphenylphosphanylethyl)-2-methoxyethanamine?
The InChIKey is DWZWXRYWRGAMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35NOP2/c1-33-25-22-32(23-26-34(28-14-6-2-7-15-28)29-16-8-3-9-17-29)24-27-35(30-18-10-4-11-19-30)31-20-12-5-13-21-31/h2-21H,22-27H2,1H3.
What are the key properties of N,N-bis(2-diphenylphosphanylethyl)-2-methoxyethanamine?
N,N-bis(2-diphenylphosphanylethyl)-2-methoxyethanamine has a molecular weight of 499.58 g/mol, XLogP of 5.20, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-diphenylphosphanylethyl)-2-methoxyethanamine is sourced from PubChem (CID 11340989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).