1-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]propan-2-ol

C14H22FNO2 — CID 112610710

IUPAC1-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]propan-2-ol
SMILESCC(O)COc1c(F)cccc1CNC(C)(C)C
InChIInChI=1S/C14H22FNO2/c1-10(17)9-18-13-11(6-5-7-12(13)15)8-16-14(2,3)4/h5-7,10,16-17H,8-9H2,1-4H3
InChIKeyCYHSPQILOUSFOU-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.47
Rot. Bonds5

About 1-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]propan-2-ol

1-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]propan-2-ol (PubChem CID 112610710) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 1-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]propan-2-ol
PubChem CID112610710
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name1-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]propan-2-ol
SMILESCC(O)COc1c(F)cccc1CNC(C)(C)C
InChIInChI=1S/C14H22FNO2/c1-10(17)9-18-13-11(6-5-7-12(13)15)8-16-14(2,3)4/h5-7,10,16-17H,8-9H2,1-4H3
InChIKeyCYHSPQILOUSFOU-UHFFFAOYSA-N
XLogP2.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608730
N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115955221
1-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]propan-2-ol
CID 112610429
1-[2-[(tert-butylamino)methyl]-6-ethoxyphenoxy]propan-2-ol
CID 63057467
N-[(5-fluoronaphthalen-1-yl)methyl]-2-methylpropan-2-amine
CID 164935784
N-[[3-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 112610713
methyl 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]acetate
CID 112610729
N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 112610717
N-[[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115955206
3-[2-(ethylaminomethyl)-6-fluorophenoxy]-1,1,1-trifluoropropan-2-ol
CID 112609565
1,1,1-trifluoro-3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol
CID 115955288
1-[2-fluoro-6-[2-methyl-3-(methylphosphanylamino)propyl]phenoxy]propan-2-ol
CID 71120544

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]propan-2-ol?
The IUPAC name of 1-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]propan-2-ol (CID 112610710) is 1-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]propan-2-ol.
What is the SMILES notation for 1-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]propan-2-ol?
The canonical SMILES for 1-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]propan-2-ol is CC(O)COc1c(F)cccc1CNC(C)(C)C.
What is the InChIKey of 1-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]propan-2-ol?
The InChIKey is CYHSPQILOUSFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-10(17)9-18-13-11(6-5-7-12(13)15)8-16-14(2,3)4/h5-7,10,16-17H,8-9H2,1-4H3.
What are the key properties of 1-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]propan-2-ol?
1-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]propan-2-ol has a molecular weight of 255.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]propan-2-ol is sourced from PubChem (CID 112610710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).