1-(3-bromothiophen-2-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine

C14H18BrNS2 — CID 105139513

IUPAC1-(3-bromothiophen-2-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine
SMILESCCCNC(Cc1ccsc1)Cc1sccc1Br
InChIInChI=1S/C14H18BrNS2/c1-2-5-16-12(8-11-3-6-17-10-11)9-14-13(15)4-7-18-14/h3-4,6-7,10,12,16H,2,5,8-9H2,1H3
InChIKeyQCDNFGFHPJJLAC-UHFFFAOYSA-N
MW344.34 g/mol
LogP4.73
Rot. Bonds7

About 1-(3-bromothiophen-2-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine

1-(3-bromothiophen-2-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine (PubChem CID 105139513) has the molecular formula C14H18BrNS2 and a molecular weight of 344.34 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine
PubChem CID105139513
Molecular FormulaC14H18BrNS2
Molecular Weight344.34 g/mol
Exact Mass343.01
IUPAC Name1-(3-bromothiophen-2-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine
SMILESCCCNC(Cc1ccsc1)Cc1sccc1Br
InChIInChI=1S/C14H18BrNS2/c1-2-5-16-12(8-11-3-6-17-10-11)9-14-13(15)4-7-18-14/h3-4,6-7,10,12,16H,2,5,8-9H2,1H3
InChIKeyQCDNFGFHPJJLAC-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethyl]propan-1-amine
CID 62602066
N-propyl-1-(1,3-thiazol-2-yl)-3-thiophen-3-ylpropan-2-amine
CID 105169161
N-[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 63798477
1-(3-bromothiophen-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 55120538
3-(3-bromothiophen-2-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79088293
1-(3-bromothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-2-amine
CID 63417463
1-(3-bromothiophen-2-yl)-3-(2,5-dimethylphenyl)-N-propylpropan-2-amine
CID 115849045
1-(3-bromothiophen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105139578
1-(3-bromothiophen-2-yl)-5-phenyl-N-propylpentan-2-amine
CID 105139445
N-propyl-1-thiophen-3-ylpent-4-yn-2-amine
CID 105077426
N-propyl-1-thiophen-3-yl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 105120984
1-(2,3-difluorophenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 115845113

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine (CID 105139513) is 1-(3-bromothiophen-2-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine is CCCNC(Cc1ccsc1)Cc1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine?
The InChIKey is QCDNFGFHPJJLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNS2/c1-2-5-16-12(8-11-3-6-17-10-11)9-14-13(15)4-7-18-14/h3-4,6-7,10,12,16H,2,5,8-9H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine?
1-(3-bromothiophen-2-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine has a molecular weight of 344.34 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 105139513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).