2-[1-[2-(5-chloro-4-methylthiophen-2-yl)ethyl]cyclopentyl]ethanamine

C14H22ClNS — CID 102765261

IUPAC2-[1-[2-(5-chloro-4-methylthiophen-2-yl)ethyl]cyclopentyl]ethanamine
SMILESCc1cc(CCC2(CCN)CCCC2)sc1Cl
InChIInChI=1S/C14H22ClNS/c1-11-10-12(17-13(11)15)4-7-14(8-9-16)5-2-3-6-14/h10H,2-9,16H2,1H3
InChIKeyBBQWOVHEGCFJGY-UHFFFAOYSA-N
MW271.86 g/mol
LogP4.55
Rot. Bonds5

About 2-[1-[2-(5-chloro-4-methylthiophen-2-yl)ethyl]cyclopentyl]ethanamine

2-[1-[2-(5-chloro-4-methylthiophen-2-yl)ethyl]cyclopentyl]ethanamine (PubChem CID 102765261) has the molecular formula C14H22ClNS and a molecular weight of 271.86 g/mol. Its IUPAC name is 2-[1-[2-(5-chloro-4-methylthiophen-2-yl)ethyl]cyclopentyl]ethanamine.

Molecular Properties

Compound Name2-[1-[2-(5-chloro-4-methylthiophen-2-yl)ethyl]cyclopentyl]ethanamine
PubChem CID102765261
Molecular FormulaC14H22ClNS
Molecular Weight271.86 g/mol
Exact Mass271.12
IUPAC Name2-[1-[2-(5-chloro-4-methylthiophen-2-yl)ethyl]cyclopentyl]ethanamine
SMILESCc1cc(CCC2(CCN)CCCC2)sc1Cl
InChIInChI=1S/C14H22ClNS/c1-11-10-12(17-13(11)15)4-7-14(8-9-16)5-2-3-6-14/h10H,2-9,16H2,1H3
InChIKeyBBQWOVHEGCFJGY-UHFFFAOYSA-N
XLogP4.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.86
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(5-chloro-4-methylthiophen-2-yl)ethyl]cyclopentyl]ethanamine?
The IUPAC name of 2-[1-[2-(5-chloro-4-methylthiophen-2-yl)ethyl]cyclopentyl]ethanamine (CID 102765261) is 2-[1-[2-(5-chloro-4-methylthiophen-2-yl)ethyl]cyclopentyl]ethanamine.
What is the SMILES notation for 2-[1-[2-(5-chloro-4-methylthiophen-2-yl)ethyl]cyclopentyl]ethanamine?
The canonical SMILES for 2-[1-[2-(5-chloro-4-methylthiophen-2-yl)ethyl]cyclopentyl]ethanamine is Cc1cc(CCC2(CCN)CCCC2)sc1Cl.
What is the InChIKey of 2-[1-[2-(5-chloro-4-methylthiophen-2-yl)ethyl]cyclopentyl]ethanamine?
The InChIKey is BBQWOVHEGCFJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNS/c1-11-10-12(17-13(11)15)4-7-14(8-9-16)5-2-3-6-14/h10H,2-9,16H2,1H3.
What are the key properties of 2-[1-[2-(5-chloro-4-methylthiophen-2-yl)ethyl]cyclopentyl]ethanamine?
2-[1-[2-(5-chloro-4-methylthiophen-2-yl)ethyl]cyclopentyl]ethanamine has a molecular weight of 271.86 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(5-chloro-4-methylthiophen-2-yl)ethyl]cyclopentyl]ethanamine is sourced from PubChem (CID 102765261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).