3-(1-benzothiophen-7-yloxy)-3-(2-fluorophenyl)-N-methylpropan-1-amine

C18H18FNOS — CID 22171208

IUPAC3-(1-benzothiophen-7-yloxy)-3-(2-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCCC(Oc1cccc2ccsc12)c1ccccc1F
InChIInChI=1S/C18H18FNOS/c1-20-11-9-16(14-6-2-3-7-15(14)19)21-17-8-4-5-13-10-12-22-18(13)17/h2-8,10,12,16,20H,9,11H2,1H3
InChIKeyAKEJOBKQFKYDFL-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.77
Rot. Bonds6

About 3-(1-benzothiophen-7-yloxy)-3-(2-fluorophenyl)-N-methylpropan-1-amine

3-(1-benzothiophen-7-yloxy)-3-(2-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 22171208) has the molecular formula C18H18FNOS and a molecular weight of 315.41 g/mol. Its IUPAC name is 3-(1-benzothiophen-7-yloxy)-3-(2-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-7-yloxy)-3-(2-fluorophenyl)-N-methylpropan-1-amine
PubChem CID22171208
Molecular FormulaC18H18FNOS
Molecular Weight315.41 g/mol
Exact Mass315.11
IUPAC Name3-(1-benzothiophen-7-yloxy)-3-(2-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCCC(Oc1cccc2ccsc12)c1ccccc1F
InChIInChI=1S/C18H18FNOS/c1-20-11-9-16(14-6-2-3-7-15(14)19)21-17-8-4-5-13-10-12-22-18(13)17/h2-8,10,12,16,20H,9,11H2,1H3
InChIKeyAKEJOBKQFKYDFL-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-7-yloxy)-3-(2-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(1-benzothiophen-7-yloxy)-3-(2-fluorophenyl)-N-methylpropan-1-amine (CID 22171208) is 3-(1-benzothiophen-7-yloxy)-3-(2-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(1-benzothiophen-7-yloxy)-3-(2-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(1-benzothiophen-7-yloxy)-3-(2-fluorophenyl)-N-methylpropan-1-amine is CNCCC(Oc1cccc2ccsc12)c1ccccc1F.
What is the InChIKey of 3-(1-benzothiophen-7-yloxy)-3-(2-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is AKEJOBKQFKYDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNOS/c1-20-11-9-16(14-6-2-3-7-15(14)19)21-17-8-4-5-13-10-12-22-18(13)17/h2-8,10,12,16,20H,9,11H2,1H3.
What are the key properties of 3-(1-benzothiophen-7-yloxy)-3-(2-fluorophenyl)-N-methylpropan-1-amine?
3-(1-benzothiophen-7-yloxy)-3-(2-fluorophenyl)-N-methylpropan-1-amine has a molecular weight of 315.41 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-7-yloxy)-3-(2-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 22171208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).