2-[1-[2-(3-chlorothiophen-2-yl)ethyl]cyclohexyl]ethanamine

C14H22ClNS — CID 80531724

IUPAC2-[1-[2-(3-chlorothiophen-2-yl)ethyl]cyclohexyl]ethanamine
SMILESNCCC1(CCc2sccc2Cl)CCCCC1
InChIInChI=1S/C14H22ClNS/c15-12-5-11-17-13(12)4-8-14(9-10-16)6-2-1-3-7-14/h5,11H,1-4,6-10,16H2
InChIKeyYKWMKZWEFUKFPI-UHFFFAOYSA-N
MW271.86 g/mol
LogP4.63
Rot. Bonds5

About 2-[1-[2-(3-chlorothiophen-2-yl)ethyl]cyclohexyl]ethanamine

2-[1-[2-(3-chlorothiophen-2-yl)ethyl]cyclohexyl]ethanamine (PubChem CID 80531724) has the molecular formula C14H22ClNS and a molecular weight of 271.86 g/mol. Its IUPAC name is 2-[1-[2-(3-chlorothiophen-2-yl)ethyl]cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-[1-[2-(3-chlorothiophen-2-yl)ethyl]cyclohexyl]ethanamine
PubChem CID80531724
Molecular FormulaC14H22ClNS
Molecular Weight271.86 g/mol
Exact Mass271.12
IUPAC Name2-[1-[2-(3-chlorothiophen-2-yl)ethyl]cyclohexyl]ethanamine
SMILESNCCC1(CCc2sccc2Cl)CCCCC1
InChIInChI=1S/C14H22ClNS/c15-12-5-11-17-13(12)4-8-14(9-10-16)6-2-1-3-7-14/h5,11H,1-4,6-10,16H2
InChIKeyYKWMKZWEFUKFPI-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-chlorothiophen-2-yl)ethyl]cyclohexyl]ethanamine?
The IUPAC name of 2-[1-[2-(3-chlorothiophen-2-yl)ethyl]cyclohexyl]ethanamine (CID 80531724) is 2-[1-[2-(3-chlorothiophen-2-yl)ethyl]cyclohexyl]ethanamine.
What is the SMILES notation for 2-[1-[2-(3-chlorothiophen-2-yl)ethyl]cyclohexyl]ethanamine?
The canonical SMILES for 2-[1-[2-(3-chlorothiophen-2-yl)ethyl]cyclohexyl]ethanamine is NCCC1(CCc2sccc2Cl)CCCCC1.
What is the InChIKey of 2-[1-[2-(3-chlorothiophen-2-yl)ethyl]cyclohexyl]ethanamine?
The InChIKey is YKWMKZWEFUKFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNS/c15-12-5-11-17-13(12)4-8-14(9-10-16)6-2-1-3-7-14/h5,11H,1-4,6-10,16H2.
What are the key properties of 2-[1-[2-(3-chlorothiophen-2-yl)ethyl]cyclohexyl]ethanamine?
2-[1-[2-(3-chlorothiophen-2-yl)ethyl]cyclohexyl]ethanamine has a molecular weight of 271.86 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-chlorothiophen-2-yl)ethyl]cyclohexyl]ethanamine is sourced from PubChem (CID 80531724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).