2-(4-bromothiophen-2-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine

C16H26BrNS — CID 115847589

IUPAC2-(4-bromothiophen-2-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
SMILESCNC(Cc1cc(Br)cs1)C1(CC(C)C)CCCC1
InChIInChI=1S/C16H26BrNS/c1-12(2)10-16(6-4-5-7-16)15(18-3)9-14-8-13(17)11-19-14/h8,11-12,15,18H,4-7,9-10H2,1-3H3
InChIKeyJDZMLAWSSZCFEO-UHFFFAOYSA-N
MW344.36 g/mol
LogP5.25
Rot. Bonds6

About 2-(4-bromothiophen-2-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine

2-(4-bromothiophen-2-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine (PubChem CID 115847589) has the molecular formula C16H26BrNS and a molecular weight of 344.36 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
PubChem CID115847589
Molecular FormulaC16H26BrNS
Molecular Weight344.36 g/mol
Exact Mass343.10
IUPAC Name2-(4-bromothiophen-2-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
SMILESCNC(Cc1cc(Br)cs1)C1(CC(C)C)CCCC1
InChIInChI=1S/C16H26BrNS/c1-12(2)10-16(6-4-5-7-16)15(18-3)9-14-8-13(17)11-19-14/h8,11-12,15,18H,4-7,9-10H2,1-3H3
InChIKeyJDZMLAWSSZCFEO-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.36
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[1-(2-methylpropyl)cyclopentyl]-2-(1,3-thiazol-5-yl)ethanamine
CID 105030314
2-(4-ethylphenyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 115802983
[2-(4-bromothiophen-2-yl)-1-(1-ethoxycycloheptyl)ethyl]hydrazine
CID 105278505
[2-(4-bromothiophen-2-yl)-1-(2-methyloxolan-2-yl)ethyl]hydrazine
CID 105250920
2-(4-bromothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
CID 105139327
2-(4-chloro-2-fluorophenyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 105055222
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 105000202
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-2-(1,3-thiazol-5-yl)ethanamine
CID 105030313
2-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine
CID 83139108
1-(4-bromothiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine
CID 107354446
N-methyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-yn-1-amine
CID 114977002
2-(4-bromothiophen-2-yl)-1-(1-methoxycyclopentyl)ethanol
CID 104610489

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine (CID 115847589) is 2-(4-bromothiophen-2-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine is CNC(Cc1cc(Br)cs1)C1(CC(C)C)CCCC1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine?
The InChIKey is JDZMLAWSSZCFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNS/c1-12(2)10-16(6-4-5-7-16)15(18-3)9-14-8-13(17)11-19-14/h8,11-12,15,18H,4-7,9-10H2,1-3H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine?
2-(4-bromothiophen-2-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine has a molecular weight of 344.36 g/mol, XLogP of 5.25, 6 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)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine is sourced from PubChem (CID 115847589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).