bis(8-methylnonyl)-phenylphosphane;N-diethoxyphosphoryl-2-phenylethanamine

C38H67NO3P2 — CID 129048059

IUPACbis(8-methylnonyl)-phenylphosphane;N-diethoxyphosphoryl-2-phenylethanamine
SMILESCC(C)CCCCCCCP(CCCCCCCC(C)C)c1ccccc1.CCOP(=O)(NCCc1ccccc1)OCC
InChIInChI=1S/C26H47P.C12H20NO3P/c1-24(2)18-12-7-5-9-16-22-27(26-20-14-11-15-21-26)23-17-10-6-8-13-19-25(3)4;1-3-15-17(14,16-4-2)13-11-10-12-8-6-5-7-9-12/h11,14-15,20-21,24-25H,5-10,12-13,16-19,22-23H2,1-4H3;5-9H,3-4,10-11H2,1-2H3,(H,13,14)
InChIKeyWVLOTDOMIBIDTG-UHFFFAOYSA-N
MW647.91 g/mol
LogP11.79
Rot. Bonds25

About bis(8-methylnonyl)-phenylphosphane;N-diethoxyphosphoryl-2-phenylethanamine

bis(8-methylnonyl)-phenylphosphane;N-diethoxyphosphoryl-2-phenylethanamine (PubChem CID 129048059) has the molecular formula C38H67NO3P2 and a molecular weight of 647.91 g/mol. Its IUPAC name is bis(8-methylnonyl)-phenylphosphane;N-diethoxyphosphoryl-2-phenylethanamine.

Molecular Properties

Compound Namebis(8-methylnonyl)-phenylphosphane;N-diethoxyphosphoryl-2-phenylethanamine
PubChem CID129048059
Molecular FormulaC38H67NO3P2
Molecular Weight647.91 g/mol
Exact Mass647.46
IUPAC Namebis(8-methylnonyl)-phenylphosphane;N-diethoxyphosphoryl-2-phenylethanamine
SMILESCC(C)CCCCCCCP(CCCCCCCC(C)C)c1ccccc1.CCOP(=O)(NCCc1ccccc1)OCC
InChIInChI=1S/C26H47P.C12H20NO3P/c1-24(2)18-12-7-5-9-16-22-27(26-20-14-11-15-21-26)23-17-10-6-8-13-19-25(3)4;1-3-15-17(14,16-4-2)13-11-10-12-8-6-5-7-9-12/h11,14-15,20-21,24-25H,5-10,12-13,16-19,22-23H2,1-4H3;5-9H,3-4,10-11H2,1-2H3,(H,13,14)
InChIKeyWVLOTDOMIBIDTG-UHFFFAOYSA-N
XLogP11.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.91
LogP ≤ 511.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2,12-dimethyltridecyl(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 54092599
benzyl 7-methyloctyl hydrogen phosphate
CID 19374043
N-diphenoxyphosphoryl-2-phenylethanamine
CID 26793774
4,4-bis(diethoxyphosphoryl)butylbenzene
CID 10150860
dipentyl(phenyl)phosphane
CID 3085487
sodium 4-methylpentyl [4-(2-phenylethyl)phenyl] phosphate
CID 23696500
3-diethoxyphosphoryl-1,1,1-trifluoro-N-(2-phenylethyl)butan-2-amine
CID 15184969
1-diethoxyphosphoryl-3-phenylpropan-1-ol
CID 12930490
2-diethoxyphosphorylethylbenzene
CID 3448525
2-[bis(9-benzylsulfanyloctadecoxy)phosphorylamino]ethyl-methanidyl-dimethylazanium
CID 140910818
8-methylnonyl 3-phenylpropanoate
CID 129279386
N-[(benzylamino)-ethoxyphosphoryl]-1-phenylmethanamine
CID 13438203

Frequently Asked Questions

What is the IUPAC name of bis(8-methylnonyl)-phenylphosphane;N-diethoxyphosphoryl-2-phenylethanamine?
The IUPAC name of bis(8-methylnonyl)-phenylphosphane;N-diethoxyphosphoryl-2-phenylethanamine (CID 129048059) is bis(8-methylnonyl)-phenylphosphane;N-diethoxyphosphoryl-2-phenylethanamine.
What is the SMILES notation for bis(8-methylnonyl)-phenylphosphane;N-diethoxyphosphoryl-2-phenylethanamine?
The canonical SMILES for bis(8-methylnonyl)-phenylphosphane;N-diethoxyphosphoryl-2-phenylethanamine is CC(C)CCCCCCCP(CCCCCCCC(C)C)c1ccccc1.CCOP(=O)(NCCc1ccccc1)OCC.
What is the InChIKey of bis(8-methylnonyl)-phenylphosphane;N-diethoxyphosphoryl-2-phenylethanamine?
The InChIKey is WVLOTDOMIBIDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47P.C12H20NO3P/c1-24(2)18-12-7-5-9-16-22-27(26-20-14-11-15-21-26)23-17-10-6-8-13-19-25(3)4;1-3-15-17(14,16-4-2)13-11-10-12-8-6-5-7-9-12/h11,14-15,20-21,24-25H,5-10,12-13,16-19,22-23H2,1-4H3;5-9H,3-4,10-11H2,1-2H3,(H,13,14).
What are the key properties of bis(8-methylnonyl)-phenylphosphane;N-diethoxyphosphoryl-2-phenylethanamine?
bis(8-methylnonyl)-phenylphosphane;N-diethoxyphosphoryl-2-phenylethanamine has a molecular weight of 647.91 g/mol, XLogP of 11.79, 25 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(8-methylnonyl)-phenylphosphane;N-diethoxyphosphoryl-2-phenylethanamine is sourced from PubChem (CID 129048059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).