1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-3-ylbutan-2-amine

C15H19BrN2S — CID 105139608

IUPAC1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
SMILESCCNC(CCc1cccnc1)Cc1sccc1Br
InChIInChI=1S/C15H19BrN2S/c1-2-18-13(10-15-14(16)7-9-19-15)6-5-12-4-3-8-17-11-12/h3-4,7-9,11,13,18H,2,5-6,10H2,1H3
InChIKeyXVILGSVUSBGYJD-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.06
Rot. Bonds7

About 1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-3-ylbutan-2-amine

1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-3-ylbutan-2-amine (PubChem CID 105139608) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
PubChem CID105139608
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC Name1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
SMILESCCNC(CCc1cccnc1)Cc1sccc1Br
InChIInChI=1S/C15H19BrN2S/c1-2-18-13(10-15-14(16)7-9-19-15)6-5-12-4-3-8-17-11-12/h3-4,7-9,11,13,18H,2,5-6,10H2,1H3
InChIKeyXVILGSVUSBGYJD-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromothiophen-2-yl)-N-ethyl-5-phenylpentan-2-amine
CID 105139650
1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105139574
1-(3-bromophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 105089943
N-ethyl-1-phenyl-5-pyridin-3-ylpentan-3-amine
CID 105094322
N-ethyl-6-methyl-1-pyridin-3-ylheptan-3-amine
CID 105127205
1-(3-bromothiophen-2-yl)-N-propyl-3-pyridin-3-ylpropan-1-amine
CID 105173119
1-(2-chloro-4-methylphenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 106867781
1-(2,5-difluorophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 105105357
N-ethyl-1-pyridin-3-yldecan-3-amine
CID 105125052
N-ethyl-3-pyridin-3-yl-1-thiophen-2-ylpropan-1-amine
CID 105100649
1-(2-bromophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
CID 105087512
1-(3-bromothiophen-2-yl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine
CID 63412081

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-3-ylbutan-2-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-3-ylbutan-2-amine (CID 105139608) is 1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-3-ylbutan-2-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-3-ylbutan-2-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-3-ylbutan-2-amine is CCNC(CCc1cccnc1)Cc1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-3-ylbutan-2-amine?
The InChIKey is XVILGSVUSBGYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-2-18-13(10-15-14(16)7-9-19-15)6-5-12-4-3-8-17-11-12/h3-4,7-9,11,13,18H,2,5-6,10H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-3-ylbutan-2-amine?
1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-3-ylbutan-2-amine has a molecular weight of 339.30 g/mol, XLogP of 4.06, 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-ethyl-4-pyridin-3-ylbutan-2-amine is sourced from PubChem (CID 105139608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).