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

C15H19BrN2S — CID 105173119

IUPAC1-(3-bromothiophen-2-yl)-N-propyl-3-pyridin-3-ylpropan-1-amine
SMILESCCCNC(CCc1cccnc1)c1sccc1Br
InChIInChI=1S/C15H19BrN2S/c1-2-8-18-14(15-13(16)7-10-19-15)6-5-12-4-3-9-17-11-12/h3-4,7,9-11,14,18H,2,5-6,8H2,1H3
InChIKeyQOCSAUUOJDDCTN-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.58
Rot. Bonds7

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

1-(3-bromothiophen-2-yl)-N-propyl-3-pyridin-3-ylpropan-1-amine (PubChem CID 105173119) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-propyl-3-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-propyl-3-pyridin-3-ylpropan-1-amine
PubChem CID105173119
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC Name1-(3-bromothiophen-2-yl)-N-propyl-3-pyridin-3-ylpropan-1-amine
SMILESCCCNC(CCc1cccnc1)c1sccc1Br
InChIInChI=1S/C15H19BrN2S/c1-2-8-18-14(15-13(16)7-10-19-15)6-5-12-4-3-9-17-11-12/h3-4,7,9-11,14,18H,2,5-6,8H2,1H3
InChIKeyQOCSAUUOJDDCTN-UHFFFAOYSA-N
XLogP4.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine
CID 105173120
1-(4-methylphenyl)-N-propyl-3-pyridin-3-ylpropan-1-amine
CID 105092564
1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 105139608
1-(3-methylthiophen-2-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 105166519
1-(2,3-dichlorophenyl)-N-propyl-3-pyridin-3-ylpropan-1-amine
CID 105141906
N-[1-(3-bromothiophen-2-yl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 63798111
1-(3-bromothiophen-2-yl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039383
N-ethyl-3-pyridin-3-yl-1-thiophen-2-ylpropan-1-amine
CID 105100649
N-[1-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 63796209
1-phenyl-N-propyl-4-pyridin-3-ylbutan-1-amine
CID 104737019
1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105023982
N-propyl-5-pyridin-3-ylpent-1-en-3-amine
CID 105161313

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-propyl-3-pyridin-3-ylpropan-1-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-propyl-3-pyridin-3-ylpropan-1-amine (CID 105173119) is 1-(3-bromothiophen-2-yl)-N-propyl-3-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-propyl-3-pyridin-3-ylpropan-1-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-propyl-3-pyridin-3-ylpropan-1-amine is CCCNC(CCc1cccnc1)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-propyl-3-pyridin-3-ylpropan-1-amine?
The InChIKey is QOCSAUUOJDDCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-2-8-18-14(15-13(16)7-10-19-15)6-5-12-4-3-9-17-11-12/h3-4,7,9-11,14,18H,2,5-6,8H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-propyl-3-pyridin-3-ylpropan-1-amine?
1-(3-bromothiophen-2-yl)-N-propyl-3-pyridin-3-ylpropan-1-amine has a molecular weight of 339.30 g/mol, XLogP of 4.58, 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-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 105173119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).