2-(5-chlorothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine

C14H20ClF2NS — CID 105135106

IUPAC2-(5-chlorothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)s1)C1CCC(F)(F)CC1
InChIInChI=1S/C14H20ClF2NS/c1-2-18-12(9-11-3-4-13(15)19-11)10-5-7-14(16,17)8-6-10/h3-4,10,12,18H,2,5-9H2,1H3
InChIKeyLLFCYCRSERBSGQ-UHFFFAOYSA-N
MW307.84 g/mol
LogP4.75
Rot. Bonds5

About 2-(5-chlorothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine

2-(5-chlorothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine (PubChem CID 105135106) has the molecular formula C14H20ClF2NS and a molecular weight of 307.84 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
PubChem CID105135106
Molecular FormulaC14H20ClF2NS
Molecular Weight307.84 g/mol
Exact Mass307.10
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)s1)C1CCC(F)(F)CC1
InChIInChI=1S/C14H20ClF2NS/c1-2-18-12(9-11-3-4-13(15)19-11)10-5-7-14(16,17)8-6-10/h3-4,10,12,18H,2,5-9H2,1H3
InChIKeyLLFCYCRSERBSGQ-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.84
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chlorothiophen-2-yl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine
CID 55185869
3-(5-chlorothiophen-2-yl)-1-cyclopropyl-N-ethylpropan-1-amine
CID 63355483
2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105122810
2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine
CID 107004297
2-(4-bromo-2-chlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105181702
1-(4,4-difluorocyclohexyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
CID 105105078
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423043
2-(4-bromo-2-fluorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105137148
2-(5-chlorothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine
CID 65393739
2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 65334443
1-(5-chlorothiophen-2-yl)-3-cycloheptyl-N-ethylpropan-2-amine
CID 115841681
1-[2-(5-chlorothiophen-2-yl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79070614

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine (CID 105135106) is 2-(5-chlorothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine is CCNC(Cc1ccc(Cl)s1)C1CCC(F)(F)CC1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine?
The InChIKey is LLFCYCRSERBSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClF2NS/c1-2-18-12(9-11-3-4-13(15)19-11)10-5-7-14(16,17)8-6-10/h3-4,10,12,18H,2,5-9H2,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine?
2-(5-chlorothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine has a molecular weight of 307.84 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine is sourced from PubChem (CID 105135106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).