1-[2-fluoro-6-[2-methyl-3-(methylphosphanylamino)propyl]phenoxy]propan-2-ol

C14H23FNO2P — CID 71120544

IUPAC1-[2-fluoro-6-[2-methyl-3-(methylphosphanylamino)propyl]phenoxy]propan-2-ol
SMILESCPNCC(C)Cc1cccc(F)c1OCC(C)O
InChIInChI=1S/C14H23FNO2P/c1-10(8-16-19-3)7-12-5-4-6-13(15)14(12)18-9-11(2)17/h4-6,10-11,16-17,19H,7-9H2,1-3H3
InChIKeyIUYRKTDFYLYUPU-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.58
Rot. Bonds8

About 1-[2-fluoro-6-[2-methyl-3-(methylphosphanylamino)propyl]phenoxy]propan-2-ol

1-[2-fluoro-6-[2-methyl-3-(methylphosphanylamino)propyl]phenoxy]propan-2-ol (PubChem CID 71120544) has the molecular formula C14H23FNO2P and a molecular weight of 287.31 g/mol. Its IUPAC name is 1-[2-fluoro-6-[2-methyl-3-(methylphosphanylamino)propyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-fluoro-6-[2-methyl-3-(methylphosphanylamino)propyl]phenoxy]propan-2-ol
PubChem CID71120544
Molecular FormulaC14H23FNO2P
Molecular Weight287.31 g/mol
Exact Mass287.15
IUPAC Name1-[2-fluoro-6-[2-methyl-3-(methylphosphanylamino)propyl]phenoxy]propan-2-ol
SMILESCPNCC(C)Cc1cccc(F)c1OCC(C)O
InChIInChI=1S/C14H23FNO2P/c1-10(8-16-19-3)7-12-5-4-6-13(15)14(12)18-9-11(2)17/h4-6,10-11,16-17,19H,7-9H2,1-3H3
InChIKeyIUYRKTDFYLYUPU-UHFFFAOYSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608730
1-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]propan-2-ol
CID 112610710
3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propane-1,2-diol
CID 112610784
1-ethoxy-3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol
CID 115955302
N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]ethanamine
CID 112609626
1,1,1-trifluoro-3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol
CID 115955288
3-[2-(ethylaminomethyl)-6-fluorophenoxy]-2-methylpropanamide
CID 112609547
3-[2-(ethylaminomethyl)-6-fluorophenoxy]-1,1,1-trifluoropropan-2-ol
CID 112609565
1-[2-fluoro-6-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988874
3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propane-1,2-diol
CID 112609791
N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115955221
1-butoxy-3-[2-(ethylaminomethyl)-6-fluorophenoxy]propan-2-ol
CID 107262389

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[2-methyl-3-(methylphosphanylamino)propyl]phenoxy]propan-2-ol?
The IUPAC name of 1-[2-fluoro-6-[2-methyl-3-(methylphosphanylamino)propyl]phenoxy]propan-2-ol (CID 71120544) is 1-[2-fluoro-6-[2-methyl-3-(methylphosphanylamino)propyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-[2-fluoro-6-[2-methyl-3-(methylphosphanylamino)propyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-[2-fluoro-6-[2-methyl-3-(methylphosphanylamino)propyl]phenoxy]propan-2-ol is CPNCC(C)Cc1cccc(F)c1OCC(C)O.
What is the InChIKey of 1-[2-fluoro-6-[2-methyl-3-(methylphosphanylamino)propyl]phenoxy]propan-2-ol?
The InChIKey is IUYRKTDFYLYUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FNO2P/c1-10(8-16-19-3)7-12-5-4-6-13(15)14(12)18-9-11(2)17/h4-6,10-11,16-17,19H,7-9H2,1-3H3.
What are the key properties of 1-[2-fluoro-6-[2-methyl-3-(methylphosphanylamino)propyl]phenoxy]propan-2-ol?
1-[2-fluoro-6-[2-methyl-3-(methylphosphanylamino)propyl]phenoxy]propan-2-ol has a molecular weight of 287.31 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-[2-methyl-3-(methylphosphanylamino)propyl]phenoxy]propan-2-ol is sourced from PubChem (CID 71120544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).