1-[2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-5-methylphenyl]-N-methylmethanamine

C23H34NO2P — CID 89214187

IUPAC1-[2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-5-methylphenyl]-N-methylmethanamine
SMILESCCC(CC)(Pc1ccc(C)cc1CNC)c1cccc(C)c1OCOC
InChIInChI=1S/C23H34NO2P/c1-7-23(8-2,20-11-9-10-18(4)22(20)26-16-25-6)27-21-13-12-17(3)14-19(21)15-24-5/h9-14,24,27H,7-8,15-16H2,1-6H3
InChIKeyUGIXCEARKCJMIQ-UHFFFAOYSA-N
MW387.50 g/mol
LogP5.02
Rot. Bonds10

About 1-[2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-5-methylphenyl]-N-methylmethanamine

1-[2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-5-methylphenyl]-N-methylmethanamine (PubChem CID 89214187) has the molecular formula C23H34NO2P and a molecular weight of 387.50 g/mol. Its IUPAC name is 1-[2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-5-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-5-methylphenyl]-N-methylmethanamine
PubChem CID89214187
Molecular FormulaC23H34NO2P
Molecular Weight387.50 g/mol
Exact Mass387.23
IUPAC Name1-[2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-5-methylphenyl]-N-methylmethanamine
SMILESCCC(CC)(Pc1ccc(C)cc1CNC)c1cccc(C)c1OCOC
InChIInChI=1S/C23H34NO2P/c1-7-23(8-2,20-11-9-10-18(4)22(20)26-16-25-6)27-21-13-12-17(3)14-19(21)15-24-5/h9-14,24,27H,7-8,15-16H2,1-6H3
InChIKeyUGIXCEARKCJMIQ-UHFFFAOYSA-N
XLogP5.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.50
LogP ≤ 55.02
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 1-[2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-5-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-5-methylphenyl]-N-methylmethanamine (CID 89214187) is 1-[2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-5-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-5-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-5-methylphenyl]-N-methylmethanamine is CCC(CC)(Pc1ccc(C)cc1CNC)c1cccc(C)c1OCOC.
What is the InChIKey of 1-[2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-5-methylphenyl]-N-methylmethanamine?
The InChIKey is UGIXCEARKCJMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34NO2P/c1-7-23(8-2,20-11-9-10-18(4)22(20)26-16-25-6)27-21-13-12-17(3)14-19(21)15-24-5/h9-14,24,27H,7-8,15-16H2,1-6H3.
What are the key properties of 1-[2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-5-methylphenyl]-N-methylmethanamine?
1-[2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-5-methylphenyl]-N-methylmethanamine has a molecular weight of 387.50 g/mol, XLogP of 5.02, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-5-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 89214187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).