2-(azocan-1-yl)-2-(4-bromo-5-methylthiophen-2-yl)ethanamine

C14H23BrN2S — CID 102838255

IUPAC2-(azocan-1-yl)-2-(4-bromo-5-methylthiophen-2-yl)ethanamine
SMILESCc1sc(C(CN)N2CCCCCCC2)cc1Br
InChIInChI=1S/C14H23BrN2S/c1-11-12(15)9-14(18-11)13(10-16)17-7-5-3-2-4-6-8-17/h9,13H,2-8,10,16H2,1H3
InChIKeyGLRGLVLPAFMJLC-UHFFFAOYSA-N
MW331.32 g/mol
LogP4.08
Rot. Bonds3

About 2-(azocan-1-yl)-2-(4-bromo-5-methylthiophen-2-yl)ethanamine

2-(azocan-1-yl)-2-(4-bromo-5-methylthiophen-2-yl)ethanamine (PubChem CID 102838255) has the molecular formula C14H23BrN2S and a molecular weight of 331.32 g/mol. Its IUPAC name is 2-(azocan-1-yl)-2-(4-bromo-5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(azocan-1-yl)-2-(4-bromo-5-methylthiophen-2-yl)ethanamine
PubChem CID102838255
Molecular FormulaC14H23BrN2S
Molecular Weight331.32 g/mol
Exact Mass330.08
IUPAC Name2-(azocan-1-yl)-2-(4-bromo-5-methylthiophen-2-yl)ethanamine
SMILESCc1sc(C(CN)N2CCCCCCC2)cc1Br
InChIInChI=1S/C14H23BrN2S/c1-11-12(15)9-14(18-11)13(10-16)17-7-5-3-2-4-6-8-17/h9,13H,2-8,10,16H2,1H3
InChIKeyGLRGLVLPAFMJLC-UHFFFAOYSA-N
XLogP4.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,5-dibromothiophen-2-yl)-2-piperidin-1-ylethanamine
CID 102838136
3-(4-bromo-5-methylthiophen-2-yl)-3-piperidin-1-ylpropanoic acid
CID 102844853
2-(4-bromo-5-methylthiophen-2-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine
CID 102839177
2-(4-bromo-5-methylthiophen-2-yl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531970
2-(4-butan-2-ylpiperazin-1-yl)-2-(4,5-dibromothiophen-2-yl)ethanamine
CID 102839099
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(4-bromo-5-methylthiophen-2-yl)ethanamine
CID 102839817
2-(4-bromo-5-methylthiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 102839059
2-(4-bromo-5-methylthiophen-2-yl)-2-piperidin-1-ylacetonitrile
CID 102843232
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 102838072
ethyl 3-(4,5-dibromothiophen-2-yl)-3-piperidin-1-ylpropanoate
CID 102844868
2-(4-bromo-5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 102838082
(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethanamine
CID 9079352

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-2-(4-bromo-5-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(azocan-1-yl)-2-(4-bromo-5-methylthiophen-2-yl)ethanamine (CID 102838255) is 2-(azocan-1-yl)-2-(4-bromo-5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(azocan-1-yl)-2-(4-bromo-5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(azocan-1-yl)-2-(4-bromo-5-methylthiophen-2-yl)ethanamine is Cc1sc(C(CN)N2CCCCCCC2)cc1Br.
What is the InChIKey of 2-(azocan-1-yl)-2-(4-bromo-5-methylthiophen-2-yl)ethanamine?
The InChIKey is GLRGLVLPAFMJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2S/c1-11-12(15)9-14(18-11)13(10-16)17-7-5-3-2-4-6-8-17/h9,13H,2-8,10,16H2,1H3.
What are the key properties of 2-(azocan-1-yl)-2-(4-bromo-5-methylthiophen-2-yl)ethanamine?
2-(azocan-1-yl)-2-(4-bromo-5-methylthiophen-2-yl)ethanamine has a molecular weight of 331.32 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-2-(4-bromo-5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 102838255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).