2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]-N,N,3-trimethylaniline

C23H34NO3P — CID 89356665

IUPAC2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]-N,N,3-trimethylaniline
SMILESCCCC(C)(Pc1c(C)cccc1N(C)C)c1cccc(OC)c1OCOC
InChIInChI=1S/C23H34NO3P/c1-8-15-23(3,28-22-17(2)11-9-13-19(22)24(4)5)18-12-10-14-20(26-7)21(18)27-16-25-6/h9-14,28H,8,15-16H2,1-7H3
InChIKeyQQHQZIPZEAEDGG-UHFFFAOYSA-N
MW403.50 g/mol
LogP5.07
Rot. Bonds10

About 2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]-N,N,3-trimethylaniline

2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]-N,N,3-trimethylaniline (PubChem CID 89356665) has the molecular formula C23H34NO3P and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]-N,N,3-trimethylaniline.

Molecular Properties

Compound Name2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]-N,N,3-trimethylaniline
PubChem CID89356665
Molecular FormulaC23H34NO3P
Molecular Weight403.50 g/mol
Exact Mass403.23
IUPAC Name2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]-N,N,3-trimethylaniline
SMILESCCCC(C)(Pc1c(C)cccc1N(C)C)c1cccc(OC)c1OCOC
InChIInChI=1S/C23H34NO3P/c1-8-15-23(3,28-22-17(2)11-9-13-19(22)24(4)5)18-12-10-14-20(26-7)21(18)27-16-25-6/h9-14,28H,8,15-16H2,1-7H3
InChIKeyQQHQZIPZEAEDGG-UHFFFAOYSA-N
XLogP5.07
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.50
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]-3-methylbenzaldehyde
CID 88969314
chloro-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-yl]phosphane
CID 88969094
N-[[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]methyl]-N-propan-2-ylpropan-2-amine
CID 89356601
2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]pentan-2-yl-(2-methylphenyl)phosphane
CID 88987874
2-[3-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]hexan-3-ylphosphanyl]-3-methyl-N,N-di(propan-2-yl)aniline
CID 89356666
2-[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]hexan-2-ylphosphanyl]-N,N-dimethylaniline
CID 89214527
N-[[2-[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]hexan-2-ylphosphanyl]-3-methylphenyl]methyl]-N-propan-2-ylpropan-2-amine
CID 89214643
2-(2-methoxy-3-methylphenyl)butan-2-yl-(2,3,4,5,6-pentafluorophenyl)phosphane
CID 89214616
2-benzyl-6-[2-[2-(dimethylamino)-6-methylphenyl]phosphanylbutan-2-yl]phenol
CID 70807553
4-tert-butyl-2-[2-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol
CID 71191515
[2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-3-methylphenyl]-dimethylphosphane
CID 88969386
2-[3-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]octan-3-ylphosphanyl]-N,N-dimethylaniline
CID 89356663

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]-N,N,3-trimethylaniline?
The IUPAC name of 2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]-N,N,3-trimethylaniline (CID 89356665) is 2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]-N,N,3-trimethylaniline.
What is the SMILES notation for 2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]-N,N,3-trimethylaniline?
The canonical SMILES for 2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]-N,N,3-trimethylaniline is CCCC(C)(Pc1c(C)cccc1N(C)C)c1cccc(OC)c1OCOC.
What is the InChIKey of 2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]-N,N,3-trimethylaniline?
The InChIKey is QQHQZIPZEAEDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34NO3P/c1-8-15-23(3,28-22-17(2)11-9-13-19(22)24(4)5)18-12-10-14-20(26-7)21(18)27-16-25-6/h9-14,28H,8,15-16H2,1-7H3.
What are the key properties of 2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]-N,N,3-trimethylaniline?
2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]-N,N,3-trimethylaniline has a molecular weight of 403.50 g/mol, XLogP of 5.07, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]-N,N,3-trimethylaniline is sourced from PubChem (CID 89356665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).