1-(3-bromothiophen-2-yl)-N-(pyridin-4-ylmethyl)ethanamine

C12H13BrN2S — CID 43769411

IUPAC1-(3-bromothiophen-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
SMILESCC(NCc1ccncc1)c1sccc1Br
InChIInChI=1S/C12H13BrN2S/c1-9(12-11(13)4-7-16-12)15-8-10-2-5-14-6-3-10/h2-7,9,15H,8H2,1H3
InChIKeySCGQTMDTLKCBTC-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.76
Rot. Bonds4

About 1-(3-bromothiophen-2-yl)-N-(pyridin-4-ylmethyl)ethanamine

1-(3-bromothiophen-2-yl)-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 43769411) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID43769411
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC Name1-(3-bromothiophen-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
SMILESCC(NCc1ccncc1)c1sccc1Br
InChIInChI=1S/C12H13BrN2S/c1-9(12-11(13)4-7-16-12)15-8-10-2-5-14-6-3-10/h2-7,9,15H,8H2,1H3
InChIKeySCGQTMDTLKCBTC-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromothiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61284444
(1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366218
1-(3-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
CID 61012571
1-(3-bromothiophen-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 63829492
1-(3-bromothiophen-2-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 63981561
1-(3-bromothiophen-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 55057431
1-(3-bromothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 61281995
N-(1,3-benzodioxol-5-ylmethyl)-1-(3-bromothiophen-2-yl)ethanamine
CID 43767444
N-[1-(3-bromothiophen-2-yl)ethyl]-2-chloroprop-2-en-1-amine
CID 115891113
1-(3-bromothiophen-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 61474936
4-[2-(3-bromothiophen-2-yl)-2-chloroethyl]pyridine
CID 66460593
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 61060970

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-(pyridin-4-ylmethyl)ethanamine (CID 43769411) is 1-(3-bromothiophen-2-yl)-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-(pyridin-4-ylmethyl)ethanamine is CC(NCc1ccncc1)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is SCGQTMDTLKCBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c1-9(12-11(13)4-7-16-12)15-8-10-2-5-14-6-3-10/h2-7,9,15H,8H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-(pyridin-4-ylmethyl)ethanamine?
1-(3-bromothiophen-2-yl)-N-(pyridin-4-ylmethyl)ethanamine has a molecular weight of 297.22 g/mol, XLogP of 3.76, 4 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-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 43769411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).