3-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-2-methylpropan-1-ol

C15H24FNO2 — CID 107696645

IUPAC3-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-2-methylpropan-1-ol
SMILESCC(CO)COc1ccc(F)cc1CNC(C)(C)C
InChIInChI=1S/C15H24FNO2/c1-11(9-18)10-19-14-6-5-13(16)7-12(14)8-17-15(2,3)4/h5-7,11,17-18H,8-10H2,1-4H3
InChIKeyXTKHYZDYKYIHCM-UHFFFAOYSA-N
MW269.36 g/mol
LogP2.72
Rot. Bonds6

About 3-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-2-methylpropan-1-ol

3-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-2-methylpropan-1-ol (PubChem CID 107696645) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 3-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-2-methylpropan-1-ol
PubChem CID107696645
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name3-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-2-methylpropan-1-ol
SMILESCC(CO)COc1ccc(F)cc1CNC(C)(C)C
InChIInChI=1S/C15H24FNO2/c1-11(9-18)10-19-14-6-5-13(16)7-12(14)8-17-15(2,3)4/h5-7,11,17-18H,8-10H2,1-4H3
InChIKeyXTKHYZDYKYIHCM-UHFFFAOYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 82126804
N-[[5-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107696624
N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 107696527
3-[4-fluoro-2-(methylaminomethyl)phenoxy]propane-1,2-diol
CID 107695240
2-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-N,N-dimethylpropanamide
CID 107696657
N-[[5-fluoro-2-(3-methylsulfanylpropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107696513
N-[[2-(3-ethoxypropoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 107696639
1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]propan-2-ol
CID 63326862
N-[[5-fluoro-2-(2-methylpentoxy)phenyl]methyl]propan-1-amine
CID 107695953
N-[[5-chloro-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63487208
N-[[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107696673
N-[[2-(2,2-difluoroethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63062836

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-2-methylpropan-1-ol?
The IUPAC name of 3-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-2-methylpropan-1-ol (CID 107696645) is 3-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-2-methylpropan-1-ol?
The canonical SMILES for 3-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-2-methylpropan-1-ol is CC(CO)COc1ccc(F)cc1CNC(C)(C)C.
What is the InChIKey of 3-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-2-methylpropan-1-ol?
The InChIKey is XTKHYZDYKYIHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-11(9-18)10-19-14-6-5-13(16)7-12(14)8-17-15(2,3)4/h5-7,11,17-18H,8-10H2,1-4H3.
What are the key properties of 3-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-2-methylpropan-1-ol?
3-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-2-methylpropan-1-ol has a molecular weight of 269.36 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-2-methylpropan-1-ol is sourced from PubChem (CID 107696645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).