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

C13H20ClNS — CID 107177424

IUPACN-[(5-chlorothiophen-2-yl)-(2-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)s1)C1CCCC1C
InChIInChI=1S/C13H20ClNS/c1-3-15-13(10-6-4-5-9(10)2)11-7-8-12(14)16-11/h7-10,13,15H,3-6H2,1-2H3
InChIKeyLYEQMDOETZMEEB-UHFFFAOYSA-N
MW257.83 g/mol
LogP4.49
Rot. Bonds4

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

N-[(5-chlorothiophen-2-yl)-(2-methylcyclopentyl)methyl]ethanamine (PubChem CID 107177424) has the molecular formula C13H20ClNS and a molecular weight of 257.83 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-(2-methylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-(2-methylcyclopentyl)methyl]ethanamine
PubChem CID107177424
Molecular FormulaC13H20ClNS
Molecular Weight257.83 g/mol
Exact Mass257.10
IUPAC NameN-[(5-chlorothiophen-2-yl)-(2-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)s1)C1CCCC1C
InChIInChI=1S/C13H20ClNS/c1-3-15-13(10-6-4-5-9(10)2)11-7-8-12(14)16-11/h7-10,13,15H,3-6H2,1-2H3
InChIKeyLYEQMDOETZMEEB-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chlorothiophen-2-yl)-cycloheptylmethyl]ethanamine
CID 63508833
2-chloro-5-[chloro-(2-methylcyclopentyl)methyl]thiophene
CID 107182037
N-[(5-chlorothiophen-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 63012736
N-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine
CID 43497051
N-methyl-1-(2-methylcyclopentyl)-1-(5-methylthiophen-2-yl)methanamine
CID 107177150
N-[(3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107187849
1-(5-chlorothiophen-2-yl)-N-(cyclobutylmethyl)propan-1-amine
CID 115713294
N-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191450
N-[(2-methylcyclopentyl)-pyrimidin-5-ylmethyl]ethanamine
CID 107188092
N-[(2-methylcyclopentyl)-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 107177395
N-[(2,6-dimethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191388
N-[(4-bromothiophen-3-yl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107189939

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-(2-methylcyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-(2-methylcyclopentyl)methyl]ethanamine (CID 107177424) is N-[(5-chlorothiophen-2-yl)-(2-methylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-(2-methylcyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-(2-methylcyclopentyl)methyl]ethanamine is CCNC(c1ccc(Cl)s1)C1CCCC1C.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-(2-methylcyclopentyl)methyl]ethanamine?
The InChIKey is LYEQMDOETZMEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNS/c1-3-15-13(10-6-4-5-9(10)2)11-7-8-12(14)16-11/h7-10,13,15H,3-6H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)-(2-methylcyclopentyl)methyl]ethanamine?
N-[(5-chlorothiophen-2-yl)-(2-methylcyclopentyl)methyl]ethanamine has a molecular weight of 257.83 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)-(2-methylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 107177424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).