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

C15H19BrN2S — CID 105139574

IUPAC1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
SMILESCCNC(CCc1ccccn1)Cc1sccc1Br
InChIInChI=1S/C15H19BrN2S/c1-2-17-13(11-15-14(16)8-10-19-15)7-6-12-5-3-4-9-18-12/h3-5,8-10,13,17H,2,6-7,11H2,1H3
InChIKeyLDNQUKQABQJUST-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.06
Rot. Bonds7

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

1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-2-ylbutan-2-amine (PubChem CID 105139574) 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-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
PubChem CID105139574
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC Name1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
SMILESCCNC(CCc1ccccn1)Cc1sccc1Br
InChIInChI=1S/C15H19BrN2S/c1-2-17-13(11-15-14(16)8-10-19-15)7-6-12-5-3-4-9-18-12/h3-5,8-10,13,17H,2,6-7,11H2,1H3
InChIKeyLDNQUKQABQJUST-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-(2-bromophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105087681
N-ethyl-4-pyridin-2-yl-1-thiophen-2-ylbutan-2-amine
CID 105134313
1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 105139608
1-(3-bromothiophen-2-yl)-N-ethyl-5-phenylpentan-2-amine
CID 105139650
N-ethyl-1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-amine
CID 105136068
1-(2,6-dimethylphenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105174638
N-ethyl-1-pyridin-2-yloctan-3-amine
CID 105129891
1-(3,4-dichlorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105136549
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105190483
1-(2-chloro-3-fluorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105178944
N-ethyl-6-methyl-1-pyridin-2-ylhept-6-en-3-amine
CID 105182655
2-(3-bromothiophen-2-yl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine
CID 62605765

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-2-ylbutan-2-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-2-ylbutan-2-amine (CID 105139574) is 1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-2-ylbutan-2-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-2-ylbutan-2-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-2-ylbutan-2-amine is CCNC(CCc1ccccn1)Cc1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-2-ylbutan-2-amine?
The InChIKey is LDNQUKQABQJUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-2-17-13(11-15-14(16)8-10-19-15)7-6-12-5-3-4-9-18-12/h3-5,8-10,13,17H,2,6-7,11H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-2-ylbutan-2-amine?
1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-2-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-2-ylbutan-2-amine is sourced from PubChem (CID 105139574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).