3-(3-fluorophenoxy)-N,N,2-trimethyl-3-thiophen-2-ylpropan-1-amine

C16H20FNOS — CID 141467305

IUPAC3-(3-fluorophenoxy)-N,N,2-trimethyl-3-thiophen-2-ylpropan-1-amine
SMILESCC(CN(C)C)C(Oc1cccc(F)c1)c1cccs1
InChIInChI=1S/C16H20FNOS/c1-12(11-18(2)3)16(15-8-5-9-20-15)19-14-7-4-6-13(17)10-14/h4-10,12,16H,11H2,1-3H3
InChIKeyQOFBNGSGKSFMGW-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.20
Rot. Bonds6

About 3-(3-fluorophenoxy)-N,N,2-trimethyl-3-thiophen-2-ylpropan-1-amine

3-(3-fluorophenoxy)-N,N,2-trimethyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 141467305) has the molecular formula C16H20FNOS and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)-N,N,2-trimethyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3-fluorophenoxy)-N,N,2-trimethyl-3-thiophen-2-ylpropan-1-amine
PubChem CID141467305
Molecular FormulaC16H20FNOS
Molecular Weight293.41 g/mol
Exact Mass293.12
IUPAC Name3-(3-fluorophenoxy)-N,N,2-trimethyl-3-thiophen-2-ylpropan-1-amine
SMILESCC(CN(C)C)C(Oc1cccc(F)c1)c1cccs1
InChIInChI=1S/C16H20FNOS/c1-12(11-18(2)3)16(15-8-5-9-20-15)19-14-7-4-6-13(17)10-14/h4-10,12,16H,11H2,1-3H3
InChIKeyQOFBNGSGKSFMGW-UHFFFAOYSA-N
XLogP4.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)-N,N,2-trimethyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 3-(3-fluorophenoxy)-N,N,2-trimethyl-3-thiophen-2-ylpropan-1-amine (CID 141467305) is 3-(3-fluorophenoxy)-N,N,2-trimethyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 3-(3-fluorophenoxy)-N,N,2-trimethyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 3-(3-fluorophenoxy)-N,N,2-trimethyl-3-thiophen-2-ylpropan-1-amine is CC(CN(C)C)C(Oc1cccc(F)c1)c1cccs1.
What is the InChIKey of 3-(3-fluorophenoxy)-N,N,2-trimethyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is QOFBNGSGKSFMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNOS/c1-12(11-18(2)3)16(15-8-5-9-20-15)19-14-7-4-6-13(17)10-14/h4-10,12,16H,11H2,1-3H3.
What are the key properties of 3-(3-fluorophenoxy)-N,N,2-trimethyl-3-thiophen-2-ylpropan-1-amine?
3-(3-fluorophenoxy)-N,N,2-trimethyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)-N,N,2-trimethyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 141467305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).