1-(5-bromothiophen-3-yl)-3-phenyl-N-propylpropan-1-amine

C16H20BrNS — CID 105094339

IUPAC1-(5-bromothiophen-3-yl)-3-phenyl-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccccc1)c1csc(Br)c1
InChIInChI=1S/C16H20BrNS/c1-2-10-18-15(14-11-16(17)19-12-14)9-8-13-6-4-3-5-7-13/h3-7,11-12,15,18H,2,8-10H2,1H3
InChIKeyWDNGPTNQVXXLOI-UHFFFAOYSA-N
MW338.31 g/mol
LogP5.18
Rot. Bonds7

About 1-(5-bromothiophen-3-yl)-3-phenyl-N-propylpropan-1-amine

1-(5-bromothiophen-3-yl)-3-phenyl-N-propylpropan-1-amine (PubChem CID 105094339) has the molecular formula C16H20BrNS and a molecular weight of 338.31 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-3-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-3-phenyl-N-propylpropan-1-amine
PubChem CID105094339
Molecular FormulaC16H20BrNS
Molecular Weight338.31 g/mol
Exact Mass337.05
IUPAC Name1-(5-bromothiophen-3-yl)-3-phenyl-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccccc1)c1csc(Br)c1
InChIInChI=1S/C16H20BrNS/c1-2-10-18-15(14-11-16(17)19-12-14)9-8-13-6-4-3-5-7-13/h3-7,11-12,15,18H,2,8-10H2,1H3
InChIKeyWDNGPTNQVXXLOI-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.31
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophen-3-yl)-N-propyldecan-1-amine
CID 105124423
1-(4,5-dibromothiophen-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 115793519
3-phenyl-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 43495958
N-[(5-bromothiophen-3-yl)-(4-propylphenyl)methyl]propan-1-amine
CID 105144437
1-(5-bromothiophen-3-yl)-N-propylpent-3-yn-1-amine
CID 105112636
1-(5-bromothiophen-3-yl)-N-propylbut-3-yn-1-amine
CID 105077694
1-(2-bromofuran-3-yl)-3-phenyl-N-propylpropan-1-amine
CID 106856969
N-[1-(5-bromothiophen-3-yl)-2-propoxyethyl]propan-1-amine
CID 105165472
3-(3,4-dimethylphenyl)-1-phenyl-N-propylpropan-1-amine
CID 63400239
N-[1-(5-bromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 105136104
N-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(5-bromothiophen-3-yl)ethyl]propan-1-amine
CID 105162859
3-(3,4-difluorophenyl)-1-phenyl-N-propylpropan-1-amine
CID 64501624

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-3-phenyl-N-propylpropan-1-amine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-3-phenyl-N-propylpropan-1-amine (CID 105094339) is 1-(5-bromothiophen-3-yl)-3-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-3-phenyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-3-phenyl-N-propylpropan-1-amine is CCCNC(CCc1ccccc1)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-3-phenyl-N-propylpropan-1-amine?
The InChIKey is WDNGPTNQVXXLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNS/c1-2-10-18-15(14-11-16(17)19-12-14)9-8-13-6-4-3-5-7-13/h3-7,11-12,15,18H,2,8-10H2,1H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-3-phenyl-N-propylpropan-1-amine?
1-(5-bromothiophen-3-yl)-3-phenyl-N-propylpropan-1-amine has a molecular weight of 338.31 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-3-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 105094339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).