2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzothiophen-3-amine

C13H18FNS — CID 64662839

IUPAC2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCCNC1c2cc(F)ccc2SC1CC
InChIInChI=1S/C13H18FNS/c1-3-7-15-13-10-8-9(14)5-6-12(10)16-11(13)4-2/h5-6,8,11,13,15H,3-4,7H2,1-2H3
InChIKeyZFJCSBLGQBBXDF-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.75
Rot. Bonds4

About 2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzothiophen-3-amine

2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 64662839) has the molecular formula C13H18FNS and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound Name2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID64662839
Molecular FormulaC13H18FNS
Molecular Weight239.36 g/mol
Exact Mass239.11
IUPAC Name2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCCNC1c2cc(F)ccc2SC1CC
InChIInChI=1S/C13H18FNS/c1-3-7-15-13-10-8-9(14)5-6-12(10)16-11(13)4-2/h5-6,8,11,13,15H,3-4,7H2,1-2H3
InChIKeyZFJCSBLGQBBXDF-UHFFFAOYSA-N
XLogP3.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of 2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzothiophen-3-amine (CID 64662839) is 2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for 2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for 2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzothiophen-3-amine is CCCNC1c2cc(F)ccc2SC1CC.
What is the InChIKey of 2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is ZFJCSBLGQBBXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNS/c1-3-7-15-13-10-8-9(14)5-6-12(10)16-11(13)4-2/h5-6,8,11,13,15H,3-4,7H2,1-2H3.
What are the key properties of 2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzothiophen-3-amine?
2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 239.36 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 64662839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).