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

C16H26FNO3 — CID 107688365

IUPAC1-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-3-ethoxypropan-2-ol
SMILESCCOCC(O)COc1ccc(CNC(C)(C)C)cc1F
InChIInChI=1S/C16H26FNO3/c1-5-20-10-13(19)11-21-15-7-6-12(8-14(15)17)9-18-16(2,3)4/h6-8,13,18-19H,5,9-11H2,1-4H3
InChIKeyZEBQZXUEEUAMMO-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.49
Rot. Bonds8

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

1-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-3-ethoxypropan-2-ol (PubChem CID 107688365) has the molecular formula C16H26FNO3 and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-3-ethoxypropan-2-ol
PubChem CID107688365
Molecular FormulaC16H26FNO3
Molecular Weight299.39 g/mol
Exact Mass299.19
IUPAC Name1-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-3-ethoxypropan-2-ol
SMILESCCOCC(O)COc1ccc(CNC(C)(C)C)cc1F
InChIInChI=1S/C16H26FNO3/c1-5-20-10-13(19)11-21-15-7-6-12(8-14(15)17)9-18-16(2,3)4/h6-8,13,18-19H,5,9-11H2,1-4H3
InChIKeyZEBQZXUEEUAMMO-UHFFFAOYSA-N
XLogP2.49
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]propane-1,2-diol
CID 107688548
1-ethoxy-3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol
CID 107688740
3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-1,1,1-trifluoropropan-2-ol
CID 107688661
N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 103848215
1-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxy]-3-ethoxypropan-2-ol
CID 79158303
4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2-methylbutan-2-ol
CID 107688569
N-[[3-fluoro-4-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107688358
1-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]-3-ethoxypropan-2-ol
CID 114319870
N-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 59768400
N-[[4-[(Z)-2,3-dichloroprop-2-enoxy]-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 107688427
N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 107891161
1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol
CID 63933180

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-3-ethoxypropan-2-ol?
The IUPAC name of 1-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-3-ethoxypropan-2-ol (CID 107688365) is 1-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-3-ethoxypropan-2-ol?
The canonical SMILES for 1-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-3-ethoxypropan-2-ol is CCOCC(O)COc1ccc(CNC(C)(C)C)cc1F.
What is the InChIKey of 1-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-3-ethoxypropan-2-ol?
The InChIKey is ZEBQZXUEEUAMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO3/c1-5-20-10-13(19)11-21-15-7-6-12(8-14(15)17)9-18-16(2,3)4/h6-8,13,18-19H,5,9-11H2,1-4H3.
What are the key properties of 1-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-3-ethoxypropan-2-ol?
1-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-3-ethoxypropan-2-ol has a molecular weight of 299.39 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-3-ethoxypropan-2-ol is sourced from PubChem (CID 107688365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).