4-dimethylphosphanyl-5-fluoro-2-methoxyaniline

C9H13FNOP — CID 171574099

IUPAC4-dimethylphosphanyl-5-fluoro-2-methoxyaniline
SMILESCOc1cc(P(C)C)c(F)cc1N
InChIInChI=1S/C9H13FNOP/c1-12-8-5-9(13(2)3)6(10)4-7(8)11/h4-5H,11H2,1-3H3
InChIKeyOVZIETPIWGPQOA-UHFFFAOYSA-N
MW201.18 g/mol
LogP1.78
Rot. Bonds2

About 4-dimethylphosphanyl-5-fluoro-2-methoxyaniline

4-dimethylphosphanyl-5-fluoro-2-methoxyaniline (PubChem CID 171574099) has the molecular formula C9H13FNOP and a molecular weight of 201.18 g/mol. Its IUPAC name is 4-dimethylphosphanyl-5-fluoro-2-methoxyaniline.

Molecular Properties

Compound Name4-dimethylphosphanyl-5-fluoro-2-methoxyaniline
PubChem CID171574099
Molecular FormulaC9H13FNOP
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name4-dimethylphosphanyl-5-fluoro-2-methoxyaniline
SMILESCOc1cc(P(C)C)c(F)cc1N
InChIInChI=1S/C9H13FNOP/c1-12-8-5-9(13(2)3)6(10)4-7(8)11/h4-5H,11H2,1-3H3
InChIKeyOVZIETPIWGPQOA-UHFFFAOYSA-N
XLogP1.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258755
5-fluoro-4-iodo-2-methoxyaniline
CID 131593338
sodium;4-bromo-5-fluoro-2-methoxyaniline;hydride
CID 175500910
2,5-difluoro-4-methoxyaniline
CID 45090681
1-(4-amino-2-fluoro-5-methoxyphenyl)ethenol
CID 156712123
1-N-tert-butyl-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258668
4-(3,5-difluorophenoxy)-5-fluoro-2-methoxyaniline
CID 107259895
1-(4-amino-2-fluoro-5-methoxyphenyl)propan-1-one
CID 167626065
4-amino-2-fluoro-5-methoxy-N-methylbenzamide
CID 89121907
5-fluoro-2-methoxy-4-propylsulfanylaniline
CID 107260157
(5-amino-2-fluoro-4-methoxyphenyl)methanol
CID 170335540
4-amino-1-(4-amino-2-fluoro-5-methoxyphenyl)butane-1,2-diol
CID 171881741

Frequently Asked Questions

What is the IUPAC name of 4-dimethylphosphanyl-5-fluoro-2-methoxyaniline?
The IUPAC name of 4-dimethylphosphanyl-5-fluoro-2-methoxyaniline (CID 171574099) is 4-dimethylphosphanyl-5-fluoro-2-methoxyaniline.
What is the SMILES notation for 4-dimethylphosphanyl-5-fluoro-2-methoxyaniline?
The canonical SMILES for 4-dimethylphosphanyl-5-fluoro-2-methoxyaniline is COc1cc(P(C)C)c(F)cc1N.
What is the InChIKey of 4-dimethylphosphanyl-5-fluoro-2-methoxyaniline?
The InChIKey is OVZIETPIWGPQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FNOP/c1-12-8-5-9(13(2)3)6(10)4-7(8)11/h4-5H,11H2,1-3H3.
What are the key properties of 4-dimethylphosphanyl-5-fluoro-2-methoxyaniline?
4-dimethylphosphanyl-5-fluoro-2-methoxyaniline has a molecular weight of 201.18 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dimethylphosphanyl-5-fluoro-2-methoxyaniline is sourced from PubChem (CID 171574099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).