1-(4-fluorophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol

C14H16FNOS — CID 55021313

IUPAC1-(4-fluorophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol
SMILESCc1ccc(CNCC(O)c2ccc(F)cc2)s1
InChIInChI=1S/C14H16FNOS/c1-10-2-7-13(18-10)8-16-9-14(17)11-3-5-12(15)6-4-11/h2-7,14,16-17H,8-9H2,1H3
InChIKeyBZPZTKDFHWOLQN-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.02
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol

1-(4-fluorophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol (PubChem CID 55021313) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol
PubChem CID55021313
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC Name1-(4-fluorophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol
SMILESCc1ccc(CNCC(O)c2ccc(F)cc2)s1
InChIInChI=1S/C14H16FNOS/c1-10-2-7-13(18-10)8-16-9-14(17)11-3-5-12(15)6-4-11/h2-7,14,16-17H,8-9H2,1H3
InChIKeyBZPZTKDFHWOLQN-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol (CID 55021313) is 1-(4-fluorophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol is Cc1ccc(CNCC(O)c2ccc(F)cc2)s1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol?
The InChIKey is BZPZTKDFHWOLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c1-10-2-7-13(18-10)8-16-9-14(17)11-3-5-12(15)6-4-11/h2-7,14,16-17H,8-9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol?
1-(4-fluorophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol has a molecular weight of 265.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol is sourced from PubChem (CID 55021313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).