1-(2,6-difluorophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol

C14H15F2NOS — CID 55021224

IUPAC1-(2,6-difluorophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol
SMILESCc1ccc(CNCC(O)c2c(F)cccc2F)s1
InChIInChI=1S/C14H15F2NOS/c1-9-5-6-10(19-9)7-17-8-13(18)14-11(15)3-2-4-12(14)16/h2-6,13,17-18H,7-8H2,1H3
InChIKeyAZOLBPAOSHKYNE-UHFFFAOYSA-N
MW283.34 g/mol
LogP3.16
Rot. Bonds5

About 1-(2,6-difluorophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol

1-(2,6-difluorophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol (PubChem CID 55021224) has the molecular formula C14H15F2NOS and a molecular weight of 283.34 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol
PubChem CID55021224
Molecular FormulaC14H15F2NOS
Molecular Weight283.34 g/mol
Exact Mass283.08
IUPAC Name1-(2,6-difluorophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol
SMILESCc1ccc(CNCC(O)c2c(F)cccc2F)s1
InChIInChI=1S/C14H15F2NOS/c1-9-5-6-10(19-9)7-17-8-13(18)14-11(15)3-2-4-12(14)16/h2-6,13,17-18H,7-8H2,1H3
InChIKeyAZOLBPAOSHKYNE-UHFFFAOYSA-N
XLogP3.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol (CID 55021224) is 1-(2,6-difluorophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol is Cc1ccc(CNCC(O)c2c(F)cccc2F)s1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol?
The InChIKey is AZOLBPAOSHKYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NOS/c1-9-5-6-10(19-9)7-17-8-13(18)14-11(15)3-2-4-12(14)16/h2-6,13,17-18H,7-8H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol?
1-(2,6-difluorophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol has a molecular weight of 283.34 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol is sourced from PubChem (CID 55021224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).