1-(5-fluoro-1-benzothiophen-2-yl)-2-phenylmethoxyethanamine

C17H16FNOS — CID 19846325

IUPAC1-(5-fluoro-1-benzothiophen-2-yl)-2-phenylmethoxyethanamine
SMILESNC(COCc1ccccc1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C17H16FNOS/c18-14-6-7-16-13(8-14)9-17(21-16)15(19)11-20-10-12-4-2-1-3-5-12/h1-9,15H,10-11,19H2
InChIKeyOROKDLIAXBUKDA-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.26
Rot. Bonds5

About 1-(5-fluoro-1-benzothiophen-2-yl)-2-phenylmethoxyethanamine

1-(5-fluoro-1-benzothiophen-2-yl)-2-phenylmethoxyethanamine (PubChem CID 19846325) has the molecular formula C17H16FNOS and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzothiophen-2-yl)-2-phenylmethoxyethanamine.

Molecular Properties

Compound Name1-(5-fluoro-1-benzothiophen-2-yl)-2-phenylmethoxyethanamine
PubChem CID19846325
Molecular FormulaC17H16FNOS
Molecular Weight301.39 g/mol
Exact Mass301.09
IUPAC Name1-(5-fluoro-1-benzothiophen-2-yl)-2-phenylmethoxyethanamine
SMILESNC(COCc1ccccc1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C17H16FNOS/c18-14-6-7-16-13(8-14)9-17(21-16)15(19)11-20-10-12-4-2-1-3-5-12/h1-9,15H,10-11,19H2
InChIKeyOROKDLIAXBUKDA-UHFFFAOYSA-N
XLogP4.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzothiophen-2-yl)-2-phenylmethoxyethanamine?
The IUPAC name of 1-(5-fluoro-1-benzothiophen-2-yl)-2-phenylmethoxyethanamine (CID 19846325) is 1-(5-fluoro-1-benzothiophen-2-yl)-2-phenylmethoxyethanamine.
What is the SMILES notation for 1-(5-fluoro-1-benzothiophen-2-yl)-2-phenylmethoxyethanamine?
The canonical SMILES for 1-(5-fluoro-1-benzothiophen-2-yl)-2-phenylmethoxyethanamine is NC(COCc1ccccc1)c1cc2cc(F)ccc2s1.
What is the InChIKey of 1-(5-fluoro-1-benzothiophen-2-yl)-2-phenylmethoxyethanamine?
The InChIKey is OROKDLIAXBUKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNOS/c18-14-6-7-16-13(8-14)9-17(21-16)15(19)11-20-10-12-4-2-1-3-5-12/h1-9,15H,10-11,19H2.
What are the key properties of 1-(5-fluoro-1-benzothiophen-2-yl)-2-phenylmethoxyethanamine?
1-(5-fluoro-1-benzothiophen-2-yl)-2-phenylmethoxyethanamine has a molecular weight of 301.39 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzothiophen-2-yl)-2-phenylmethoxyethanamine is sourced from PubChem (CID 19846325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).