3-[2-[(tert-butylamino)methyl]-4-fluorophenyl]sulfanylbutan-2-ol

C15H24FNOS — CID 107772146

IUPAC3-[2-[(tert-butylamino)methyl]-4-fluorophenyl]sulfanylbutan-2-ol
SMILESCC(O)C(C)Sc1ccc(F)cc1CNC(C)(C)C
InChIInChI=1S/C15H24FNOS/c1-10(18)11(2)19-14-7-6-13(16)8-12(14)9-17-15(3,4)5/h6-8,10-11,17-18H,9H2,1-5H3
InChIKeyZFOBNDZRBCEWPH-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.58
Rot. Bonds5

About 3-[2-[(tert-butylamino)methyl]-4-fluorophenyl]sulfanylbutan-2-ol

3-[2-[(tert-butylamino)methyl]-4-fluorophenyl]sulfanylbutan-2-ol (PubChem CID 107772146) has the molecular formula C15H24FNOS and a molecular weight of 285.43 g/mol. Its IUPAC name is 3-[2-[(tert-butylamino)methyl]-4-fluorophenyl]sulfanylbutan-2-ol.

Molecular Properties

Compound Name3-[2-[(tert-butylamino)methyl]-4-fluorophenyl]sulfanylbutan-2-ol
PubChem CID107772146
Molecular FormulaC15H24FNOS
Molecular Weight285.43 g/mol
Exact Mass285.16
IUPAC Name3-[2-[(tert-butylamino)methyl]-4-fluorophenyl]sulfanylbutan-2-ol
SMILESCC(O)C(C)Sc1ccc(F)cc1CNC(C)(C)C
InChIInChI=1S/C15H24FNOS/c1-10(18)11(2)19-14-7-6-13(16)8-12(14)9-17-15(3,4)5/h6-8,10-11,17-18H,9H2,1-5H3
InChIKeyZFOBNDZRBCEWPH-UHFFFAOYSA-N
XLogP3.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(tert-butylamino)methyl]-4-chlorophenyl]sulfanylbutan-2-ol
CID 107772169
N-[[5-fluoro-2-(2-methylsulfonylethylsulfanyl)phenyl]methyl]-2-methylpropan-2-amine
CID 63805350
N-[[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine
CID 115383921
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 82126804
N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine
CID 63806030
N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine
CID 63807726
3-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-2-methylpropan-1-ol
CID 107696645
N-[(2-butan-2-ylsulfanyl-5-fluorophenyl)methyl]ethanamine
CID 63806400
2-[(tert-butylamino)methyl]-4-fluoro-N-methyl-N-(2-methylpropyl)aniline
CID 63059657
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 28586559
2-[(tert-butylamino)methyl]-4-fluoro-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63551384
3-[(2-bromo-5-fluorophenyl)methylamino]-3-methylbutan-2-ol
CID 115866772

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(tert-butylamino)methyl]-4-fluorophenyl]sulfanylbutan-2-ol?
The IUPAC name of 3-[2-[(tert-butylamino)methyl]-4-fluorophenyl]sulfanylbutan-2-ol (CID 107772146) is 3-[2-[(tert-butylamino)methyl]-4-fluorophenyl]sulfanylbutan-2-ol.
What is the SMILES notation for 3-[2-[(tert-butylamino)methyl]-4-fluorophenyl]sulfanylbutan-2-ol?
The canonical SMILES for 3-[2-[(tert-butylamino)methyl]-4-fluorophenyl]sulfanylbutan-2-ol is CC(O)C(C)Sc1ccc(F)cc1CNC(C)(C)C.
What is the InChIKey of 3-[2-[(tert-butylamino)methyl]-4-fluorophenyl]sulfanylbutan-2-ol?
The InChIKey is ZFOBNDZRBCEWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNOS/c1-10(18)11(2)19-14-7-6-13(16)8-12(14)9-17-15(3,4)5/h6-8,10-11,17-18H,9H2,1-5H3.
What are the key properties of 3-[2-[(tert-butylamino)methyl]-4-fluorophenyl]sulfanylbutan-2-ol?
3-[2-[(tert-butylamino)methyl]-4-fluorophenyl]sulfanylbutan-2-ol has a molecular weight of 285.43 g/mol, XLogP of 3.58, 5 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-fluorophenyl]sulfanylbutan-2-ol is sourced from PubChem (CID 107772146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).