N-[dimethylamino-(2-diphenylphosphanylphenyl)phosphanyl]-N-methylmethanamine

C22H26N2P2 — CID 101121245

IUPACN-[dimethylamino-(2-diphenylphosphanylphenyl)phosphanyl]-N-methylmethanamine
SMILESCN(C)P(c1ccccc1P(c1ccccc1)c1ccccc1)N(C)C
InChIInChI=1S/C22H26N2P2/c1-23(2)26(24(3)4)22-18-12-11-17-21(22)25(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-18H,1-4H3
InChIKeyXHUPPLJNVMLIEU-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.51
Rot. Bonds6

About N-[dimethylamino-(2-diphenylphosphanylphenyl)phosphanyl]-N-methylmethanamine

N-[dimethylamino-(2-diphenylphosphanylphenyl)phosphanyl]-N-methylmethanamine (PubChem CID 101121245) has the molecular formula C22H26N2P2 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-[dimethylamino-(2-diphenylphosphanylphenyl)phosphanyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[dimethylamino-(2-diphenylphosphanylphenyl)phosphanyl]-N-methylmethanamine
PubChem CID101121245
Molecular FormulaC22H26N2P2
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC NameN-[dimethylamino-(2-diphenylphosphanylphenyl)phosphanyl]-N-methylmethanamine
SMILESCN(C)P(c1ccccc1P(c1ccccc1)c1ccccc1)N(C)C
InChIInChI=1S/C22H26N2P2/c1-23(2)26(24(3)4)22-18-12-11-17-21(22)25(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-18H,1-4H3
InChIKeyXHUPPLJNVMLIEU-UHFFFAOYSA-N
XLogP3.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Methyltriphenyliphosphonium bromide
CID 74505
Butyltriphenylphosphonium bromide
CID 159628
Triphenylmethylphosphonium Bromide
CID 621706
Ethyltriphenylphosphonium iodide
CID 78474
Propyltriphenylphosphonium bromide
CID 80374
Phosphonium, hexyltriphenyl-, bromide (1:1)
CID 2724569
Phosphonium, ethyltriphenyl-, bromide (1:1)
CID 73727
Triphenylmethylphosphonium
CID 74506
triphenyl-[(E)-prop-1-enyl]phosphanium
CID 5752015
Methyltriphenylphosphonium iodide
CID 638159
2-Butenyltriphenylphosphonium chloride
CID 11824356
Phosphonium, butyltriphenyl-, chloride (1:1)
CID 166797

Frequently Asked Questions

What is the IUPAC name of N-[dimethylamino-(2-diphenylphosphanylphenyl)phosphanyl]-N-methylmethanamine?
The IUPAC name of N-[dimethylamino-(2-diphenylphosphanylphenyl)phosphanyl]-N-methylmethanamine (CID 101121245) is N-[dimethylamino-(2-diphenylphosphanylphenyl)phosphanyl]-N-methylmethanamine.
What is the SMILES notation for N-[dimethylamino-(2-diphenylphosphanylphenyl)phosphanyl]-N-methylmethanamine?
The canonical SMILES for N-[dimethylamino-(2-diphenylphosphanylphenyl)phosphanyl]-N-methylmethanamine is CN(C)P(c1ccccc1P(c1ccccc1)c1ccccc1)N(C)C.
What is the InChIKey of N-[dimethylamino-(2-diphenylphosphanylphenyl)phosphanyl]-N-methylmethanamine?
The InChIKey is XHUPPLJNVMLIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2P2/c1-23(2)26(24(3)4)22-18-12-11-17-21(22)25(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-18H,1-4H3.
What are the key properties of N-[dimethylamino-(2-diphenylphosphanylphenyl)phosphanyl]-N-methylmethanamine?
N-[dimethylamino-(2-diphenylphosphanylphenyl)phosphanyl]-N-methylmethanamine has a molecular weight of 380.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethylamino-(2-diphenylphosphanylphenyl)phosphanyl]-N-methylmethanamine is sourced from PubChem (CID 101121245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).