2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine

C14H22BrNS — CID 65411023

IUPAC2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine
SMILESCCC1CCC(C(Cc2cc(Br)cs2)NC)C1
InChIInChI=1S/C14H22BrNS/c1-3-10-4-5-11(6-10)14(16-2)8-13-7-12(15)9-17-13/h7,9-11,14,16H,3-6,8H2,1-2H3
InChIKeyNBSDOUZAINTBBR-UHFFFAOYSA-N
MW316.31 g/mol
LogP4.47
Rot. Bonds5

About 2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine

2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine (PubChem CID 65411023) has the molecular formula C14H22BrNS and a molecular weight of 316.31 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine
PubChem CID65411023
Molecular FormulaC14H22BrNS
Molecular Weight316.31 g/mol
Exact Mass315.07
IUPAC Name2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine
SMILESCCC1CCC(C(Cc2cc(Br)cs2)NC)C1
InChIInChI=1S/C14H22BrNS/c1-3-10-4-5-11(6-10)14(16-2)8-13-7-12(15)9-17-13/h7,9-11,14,16H,3-6,8H2,1-2H3
InChIKeyNBSDOUZAINTBBR-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine with MolForge

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Related Compounds

N-[2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)ethyl]propan-1-amine
CID 65412607
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(4-bromothiophen-2-yl)-N-methylethanamine
CID 115847876
2-(4-bromothiophen-2-yl)-1-(4-ethylcyclohexyl)ethanol
CID 65393514
2-(4-bromothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
CID 105139327
2-(5-bromo-2-pyridinyl)-1-(3-ethylcyclopentyl)-N-methylethanamine
CID 113455010
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine
CID 79817385
2-(4-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanamine
CID 65425884
N-[2-(4-bromothiophen-2-yl)-1-cyclooctylethyl]propan-1-amine
CID 80611200
[2-(4-bromothiophen-2-yl)-1-cyclopentylethyl]hydrazine
CID 105204458
[2-(5-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)ethyl]hydrazine
CID 105233392
2-(4-bromothiophen-2-yl)-N-methyl-1-(2-phenylcyclopropyl)ethanamine
CID 115848042
1-(3-ethylcyclopentyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 65411999

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine (CID 65411023) is 2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine is CCC1CCC(C(Cc2cc(Br)cs2)NC)C1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine?
The InChIKey is NBSDOUZAINTBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNS/c1-3-10-4-5-11(6-10)14(16-2)8-13-7-12(15)9-17-13/h7,9-11,14,16H,3-6,8H2,1-2H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine?
2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine has a molecular weight of 316.31 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine is sourced from PubChem (CID 65411023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).