1-(5-chlorothiophen-2-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine

C13H20ClNS — CID 63822376

IUPAC1-(5-chlorothiophen-2-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine
SMILESCC(NCC1(C)CCCC1)c1ccc(Cl)s1
InChIInChI=1S/C13H20ClNS/c1-10(11-5-6-12(14)16-11)15-9-13(2)7-3-4-8-13/h5-6,10,15H,3-4,7-9H2,1-2H3
InChIKeyUWWSVULJJJHLHI-UHFFFAOYSA-N
MW257.83 g/mol
LogP4.63
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine

1-(5-chlorothiophen-2-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine (PubChem CID 63822376) has the molecular formula C13H20ClNS and a molecular weight of 257.83 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine
PubChem CID63822376
Molecular FormulaC13H20ClNS
Molecular Weight257.83 g/mol
Exact Mass257.10
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine
SMILESCC(NCC1(C)CCCC1)c1ccc(Cl)s1
InChIInChI=1S/C13H20ClNS/c1-10(11-5-6-12(14)16-11)15-9-13(2)7-3-4-8-13/h5-6,10,15H,3-4,7-9H2,1-2H3
InChIKeyUWWSVULJJJHLHI-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.83
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethylthiophen-2-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902899
1-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine
CID 80696138
N-[1-(5-chlorothiophen-2-yl)ethyl]but-2-yn-1-amine
CID 62309744
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol
CID 43439192
N'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine
CID 60887972
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
1-(2,6-dichloro-3-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]ethanamine
CID 55259288
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3,3-trimethylbutan-1-amine
CID 83141725
N-[(1-methylcyclopentyl)methyl]-1-pyridin-4-ylethanamine
CID 63820570
N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 61469472
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 54906711
1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-ethylpentan-2-ol
CID 103783012

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine (CID 63822376) is 1-(5-chlorothiophen-2-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine is CC(NCC1(C)CCCC1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine?
The InChIKey is UWWSVULJJJHLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNS/c1-10(11-5-6-12(14)16-11)15-9-13(2)7-3-4-8-13/h5-6,10,15H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine?
1-(5-chlorothiophen-2-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine has a molecular weight of 257.83 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 63822376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).