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

C15H17BrFNS — CID 105136708

IUPAC1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine
SMILESCCNC(Cc1ccsc1)Cc1cc(F)ccc1Br
InChIInChI=1S/C15H17BrFNS/c1-2-18-14(7-11-5-6-19-10-11)9-12-8-13(17)3-4-15(12)16/h3-6,8,10,14,18H,2,7,9H2,1H3
InChIKeyHTMKHPHVNJXKOR-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.41
Rot. Bonds6

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

1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine (PubChem CID 105136708) has the molecular formula C15H17BrFNS and a molecular weight of 342.28 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine
PubChem CID105136708
Molecular FormulaC15H17BrFNS
Molecular Weight342.28 g/mol
Exact Mass341.02
IUPAC Name1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine
SMILESCCNC(Cc1ccsc1)Cc1cc(F)ccc1Br
InChIInChI=1S/C15H17BrFNS/c1-2-18-14(7-11-5-6-19-10-11)9-12-8-13(17)3-4-15(12)16/h3-6,8,10,14,18H,2,7,9H2,1H3
InChIKeyHTMKHPHVNJXKOR-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine (CID 105136708) is 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine is CCNC(Cc1ccsc1)Cc1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine?
The InChIKey is HTMKHPHVNJXKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNS/c1-2-18-14(7-11-5-6-19-10-11)9-12-8-13(17)3-4-15(12)16/h3-6,8,10,14,18H,2,7,9H2,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine?
1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine has a molecular weight of 342.28 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 105136708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).