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

C15H17BrFNS — CID 115860919

IUPAC1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)c1cc(F)ccc1Br
InChIInChI=1S/C15H17BrFNS/c1-2-18-15(8-6-12-4-3-9-19-12)13-10-11(17)5-7-14(13)16/h3-5,7,9-10,15,18H,2,6,8H2,1H3
InChIKeyKFEGWDGJQIYVRJ-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.93
Rot. Bonds6

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

1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 115860919) 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-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
PubChem CID115860919
Molecular FormulaC15H17BrFNS
Molecular Weight342.28 g/mol
Exact Mass341.02
IUPAC Name1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)c1cc(F)ccc1Br
InChIInChI=1S/C15H17BrFNS/c1-2-18-15(8-6-12-4-3-9-19-12)13-10-11(17)5-7-14(13)16/h3-5,7,9-10,15,18H,2,6,8H2,1H3
InChIKeyKFEGWDGJQIYVRJ-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-(2,5-dibromophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115861015
N-ethyl-1-(3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine
CID 63775928
1-(2,5-dibromophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115861201
N-ethyl-3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 115860753
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 107968303
1-(2,4-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860970
N-ethyl-1-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine
CID 63776349
N-ethyl-1-(2-fluorophenyl)-4-thiophen-2-ylbutan-1-amine
CID 105119949
4-fluoro-2-(1-hydrazinyl-3-thiophen-2-ylpropyl)aniline
CID 105263131
1-(3,5-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860979
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860877
1-(5-bromo-2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860952

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine (CID 115860919) is 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine is CCNC(CCc1cccs1)c1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is KFEGWDGJQIYVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNS/c1-2-18-15(8-6-12-4-3-9-19-12)13-10-11(17)5-7-14(13)16/h3-5,7,9-10,15,18H,2,6,8H2,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine?
1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-2-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-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115860919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).