N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)-2-thiophen-3-ylethanamine

C16H16FNS2 — CID 105137624

IUPACN-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C16H16FNS2/c1-2-18-14(7-11-5-6-19-10-11)16-9-12-8-13(17)3-4-15(12)20-16/h3-6,8-10,14,18H,2,7H2,1H3
InChIKeyQRPDTYUMDXBRAQ-UHFFFAOYSA-N
MW305.44 g/mol
LogP5.00
Rot. Bonds5

About N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)-2-thiophen-3-ylethanamine

N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)-2-thiophen-3-ylethanamine (PubChem CID 105137624) has the molecular formula C16H16FNS2 and a molecular weight of 305.44 g/mol. Its IUPAC name is N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)-2-thiophen-3-ylethanamine
PubChem CID105137624
Molecular FormulaC16H16FNS2
Molecular Weight305.44 g/mol
Exact Mass305.07
IUPAC NameN-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C16H16FNS2/c1-2-18-14(7-11-5-6-19-10-11)16-9-12-8-13(17)3-4-15(12)20-16/h3-6,8-10,14,18H,2,7H2,1H3
InChIKeyQRPDTYUMDXBRAQ-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
CID 105139333
N-ethyl-4,4,4-trifluoro-1-(5-fluoro-1-benzothiophen-2-yl)butan-1-amine
CID 105156465
N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine
CID 61078915
1-(5-fluoro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 105087174
1-(5-chloro-2-fluorophenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 61078384
[1-(5-fluoro-1-benzothiophen-2-yl)-3-methylbutyl]hydrazine
CID 105282766
1-(1-benzothiophen-2-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 63527754
N-ethyl-1-(3-fluorophenyl)-3-thiophen-3-ylpropan-2-amine
CID 62602151
N-[1-(3,5-difluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61079665
N-ethyl-1-(thiadiazol-5-yl)-2-thiophen-3-ylethanamine
CID 105137529
[1-(6-fluoro-1-benzothiophen-2-yl)-3-thiophen-3-ylpropyl]hydrazine
CID 105306761
2-(5-bromothiophen-2-yl)-N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
CID 115841174

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)-2-thiophen-3-ylethanamine?
The IUPAC name of N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)-2-thiophen-3-ylethanamine (CID 105137624) is N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)-2-thiophen-3-ylethanamine?
The canonical SMILES for N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)-2-thiophen-3-ylethanamine is CCNC(Cc1ccsc1)c1cc2cc(F)ccc2s1.
What is the InChIKey of N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)-2-thiophen-3-ylethanamine?
The InChIKey is QRPDTYUMDXBRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNS2/c1-2-18-14(7-11-5-6-19-10-11)16-9-12-8-13(17)3-4-15(12)20-16/h3-6,8-10,14,18H,2,7H2,1H3.
What are the key properties of N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)-2-thiophen-3-ylethanamine?
N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)-2-thiophen-3-ylethanamine has a molecular weight of 305.44 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 105137624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).