3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propane-1,2-diol

C14H22FNO3 — CID 112610784

IUPAC3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propane-1,2-diol
SMILESCC(C)CNCc1cccc(F)c1OCC(O)CO
InChIInChI=1S/C14H22FNO3/c1-10(2)6-16-7-11-4-3-5-13(15)14(11)19-9-12(18)8-17/h3-5,10,12,16-18H,6-9H2,1-2H3
InChIKeyBNIYVXNWAWGNLG-UHFFFAOYSA-N
MW271.33 g/mol
LogP1.30
Rot. Bonds8

About 3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propane-1,2-diol

3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propane-1,2-diol (PubChem CID 112610784) has the molecular formula C14H22FNO3 and a molecular weight of 271.33 g/mol. Its IUPAC name is 3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propane-1,2-diol
PubChem CID112610784
Molecular FormulaC14H22FNO3
Molecular Weight271.33 g/mol
Exact Mass271.16
IUPAC Name3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propane-1,2-diol
SMILESCC(C)CNCc1cccc(F)c1OCC(O)CO
InChIInChI=1S/C14H22FNO3/c1-10(2)6-16-7-11-4-3-5-13(15)14(11)19-9-12(18)8-17/h3-5,10,12,16-18H,6-9H2,1-2H3
InChIKeyBNIYVXNWAWGNLG-UHFFFAOYSA-N
XLogP1.30
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxy-3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol
CID 115955302
1,1,1-trifluoro-3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol
CID 115955288
3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propane-1,2-diol
CID 112609791
3-[2,6-difluoro-4-[(2-methylpropylamino)methyl]phenoxy]propane-1,2-diol
CID 82850259
2-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 112610813
N-[[3-fluoro-2-(3-methylbut-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 112610806
N-[[2-[3-(dimethylamino)propoxy]-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 114524923
N-[[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 115955266
3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
CID 115955331
1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608730
N-[[2-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 115955301
N-[[3-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 115955351

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propane-1,2-diol?
The IUPAC name of 3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propane-1,2-diol (CID 112610784) is 3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propane-1,2-diol?
The canonical SMILES for 3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propane-1,2-diol is CC(C)CNCc1cccc(F)c1OCC(O)CO.
What is the InChIKey of 3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propane-1,2-diol?
The InChIKey is BNIYVXNWAWGNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO3/c1-10(2)6-16-7-11-4-3-5-13(15)14(11)19-9-12(18)8-17/h3-5,10,12,16-18H,6-9H2,1-2H3.
What are the key properties of 3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propane-1,2-diol?
3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propane-1,2-diol has a molecular weight of 271.33 g/mol, XLogP of 1.30, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propane-1,2-diol is sourced from PubChem (CID 112610784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).