1-(5-bromo-2-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine

C15H17BrFNS — CID 114894917

IUPAC1-(5-bromo-2-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
SMILESCCNC(CCc1ccsc1)c1cc(Br)ccc1F
InChIInChI=1S/C15H17BrFNS/c1-2-18-15(6-3-11-7-8-19-10-11)13-9-12(16)4-5-14(13)17/h4-5,7-10,15,18H,2-3,6H2,1H3
InChIKeyYBQUAUXFBLNPTP-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.93
Rot. Bonds6

About 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine

1-(5-bromo-2-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 114894917) has the molecular formula C15H17BrFNS and a molecular weight of 342.28 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
PubChem CID114894917
Molecular FormulaC15H17BrFNS
Molecular Weight342.28 g/mol
Exact Mass341.02
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
SMILESCCNC(CCc1ccsc1)c1cc(Br)ccc1F
InChIInChI=1S/C15H17BrFNS/c1-2-18-15(6-3-11-7-8-19-10-11)13-9-12(16)4-5-14(13)17/h4-5,7-10,15,18H,2-3,6H2,1H3
InChIKeyYBQUAUXFBLNPTP-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857164
1-(5-bromo-2-fluorophenyl)-N-ethylpent-4-yn-1-amine
CID 114894905
1-(5-chloro-2-fluorophenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 61078384
1-(2,4-dimethylphenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857169
1-(5-bromo-2-fluorophenyl)-N-ethyl-4-methoxypentan-1-amine
CID 105167364
1-(3-bromothiophen-2-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857053
1-(5-bromo-2-fluorophenyl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 114894962
1-(5-bromo-2-fluorophenyl)-N-ethylbut-3-en-1-amine
CID 116660748
1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63528287
1-(2,3-dichlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857101
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-thiophen-3-ylethanamine
CID 55095689
N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-3-thiophen-3-ylpropan-1-amine
CID 105147843

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine (CID 114894917) is 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine is CCNC(CCc1ccsc1)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is YBQUAUXFBLNPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNS/c1-2-18-15(6-3-11-7-8-19-10-11)13-9-12(16)4-5-14(13)17/h4-5,7-10,15,18H,2-3,6H2,1H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine?
1-(5-bromo-2-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 342.28 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 114894917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).