2-diphenylphosphoryl-6-methoxy-N-propylaniline

C22H24NO2P — CID 175667588

IUPAC2-diphenylphosphoryl-6-methoxy-N-propylaniline
SMILESCCCNc1c(OC)cccc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24NO2P/c1-3-17-23-22-20(25-2)15-10-16-21(22)26(24,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-16,23H,3,17H2,1-2H3
InChIKeyUYOPENRRQPNQFZ-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.16
Rot. Bonds7

About 2-diphenylphosphoryl-6-methoxy-N-propylaniline

2-diphenylphosphoryl-6-methoxy-N-propylaniline (PubChem CID 175667588) has the molecular formula C22H24NO2P and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-diphenylphosphoryl-6-methoxy-N-propylaniline.

Molecular Properties

Compound Name2-diphenylphosphoryl-6-methoxy-N-propylaniline
PubChem CID175667588
Molecular FormulaC22H24NO2P
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name2-diphenylphosphoryl-6-methoxy-N-propylaniline
SMILESCCCNc1c(OC)cccc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24NO2P/c1-3-17-23-22-20(25-2)15-10-16-21(22)26(24,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-16,23H,3,17H2,1-2H3
InChIKeyUYOPENRRQPNQFZ-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-diphenylphosphoryl-2-iodo-3-methoxybenzene
CID 14906787
1-[butyl(phenyl)phosphoryl]-2-methoxybenzene
CID 14663612
1-diphenylphosphoryl-3-ethyl-2-methoxybenzene
CID 11151842
1-[[3-methoxy-2-[2-methoxy-6-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
CID 46939365
1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;ethane
CID 144799075
1-dibutylphosphoryl-2-methoxybenzene
CID 15651948
2-diphenylphosphoryl-1,4-dimethoxybenzene
CID 15129135
N-(2-methoxyphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179366
1-[bis(2-methoxyphenyl)phosphorylmethoxymethyl-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene
CID 163210836
N-(3-diphenylphosphoryl-4-methoxyphenyl)acetamide
CID 3921981
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
2-methoxy-N-(2-methoxyethyl)-6-methylaniline
CID 131854932

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphoryl-6-methoxy-N-propylaniline?
The IUPAC name of 2-diphenylphosphoryl-6-methoxy-N-propylaniline (CID 175667588) is 2-diphenylphosphoryl-6-methoxy-N-propylaniline.
What is the SMILES notation for 2-diphenylphosphoryl-6-methoxy-N-propylaniline?
The canonical SMILES for 2-diphenylphosphoryl-6-methoxy-N-propylaniline is CCCNc1c(OC)cccc1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphoryl-6-methoxy-N-propylaniline?
The InChIKey is UYOPENRRQPNQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24NO2P/c1-3-17-23-22-20(25-2)15-10-16-21(22)26(24,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-16,23H,3,17H2,1-2H3.
What are the key properties of 2-diphenylphosphoryl-6-methoxy-N-propylaniline?
2-diphenylphosphoryl-6-methoxy-N-propylaniline has a molecular weight of 365.41 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-6-methoxy-N-propylaniline is sourced from PubChem (CID 175667588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).