4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2-methylbutan-2-ol

C16H26FNO2 — CID 107688569

IUPAC4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2-methylbutan-2-ol
SMILESCC(C)(O)CCOc1ccc(CNC(C)(C)C)cc1F
InChIInChI=1S/C16H26FNO2/c1-15(2,3)18-11-12-6-7-14(13(17)10-12)20-9-8-16(4,5)19/h6-7,10,18-19H,8-9,11H2,1-5H3
InChIKeyJCOFCYSADCHRDO-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.25
Rot. Bonds6

About 4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2-methylbutan-2-ol

4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2-methylbutan-2-ol (PubChem CID 107688569) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is 4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2-methylbutan-2-ol
PubChem CID107688569
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC Name4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2-methylbutan-2-ol
SMILESCC(C)(O)CCOc1ccc(CNC(C)(C)C)cc1F
InChIInChI=1S/C16H26FNO2/c1-15(2,3)18-11-12-6-7-14(13(17)10-12)20-9-8-16(4,5)19/h6-7,10,18-19H,8-9,11H2,1-5H3
InChIKeyJCOFCYSADCHRDO-UHFFFAOYSA-N
XLogP3.25
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 107686703
4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2,2-dimethylbutanenitrile
CID 107688351
N-[[3-fluoro-4-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107688358
N-[[3-fluoro-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 107688368
4-(2,4-difluorophenoxy)-2-methylbutan-2-ol
CID 79360243
N-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 59768400
3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-1,1,1-trifluoropropan-2-ol
CID 107688661
3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]propane-1,2-diol
CID 107688548
N-[[4-[(Z)-2,3-dichloroprop-2-enoxy]-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 107688427
N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 103848215
N-[[3-fluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107688455
1-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-3-ethoxypropan-2-ol
CID 107688365

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2-methylbutan-2-ol?
The IUPAC name of 4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2-methylbutan-2-ol (CID 107688569) is 4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2-methylbutan-2-ol?
The canonical SMILES for 4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2-methylbutan-2-ol is CC(C)(O)CCOc1ccc(CNC(C)(C)C)cc1F.
What is the InChIKey of 4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2-methylbutan-2-ol?
The InChIKey is JCOFCYSADCHRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-15(2,3)18-11-12-6-7-14(13(17)10-12)20-9-8-16(4,5)19/h6-7,10,18-19H,8-9,11H2,1-5H3.
What are the key properties of 4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2-methylbutan-2-ol?
4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2-methylbutan-2-ol has a molecular weight of 283.39 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 107688569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).