2-(1-adamantyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine

C18H26ClNS — CID 79988041

IUPAC2-(1-adamantyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(CC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)s1
InChIInChI=1S/C18H26ClNS/c1-2-20-15(16-3-4-17(19)21-16)11-18-8-12-5-13(9-18)7-14(6-12)10-18/h3-4,12-15,20H,2,5-11H2,1H3
InChIKeyUOBGQHJYBCIBFP-UHFFFAOYSA-N
MW323.93 g/mol
LogP5.66
Rot. Bonds5

About 2-(1-adamantyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine

2-(1-adamantyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine (PubChem CID 79988041) has the molecular formula C18H26ClNS and a molecular weight of 323.93 g/mol. Its IUPAC name is 2-(1-adamantyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(1-adamantyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine
PubChem CID79988041
Molecular FormulaC18H26ClNS
Molecular Weight323.93 g/mol
Exact Mass323.15
IUPAC Name2-(1-adamantyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(CC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)s1
InChIInChI=1S/C18H26ClNS/c1-2-20-15(16-3-4-17(19)21-16)11-18-8-12-5-13(9-18)7-14(6-12)10-18/h3-4,12-15,20H,2,5-11H2,1H3
InChIKeyUOBGQHJYBCIBFP-UHFFFAOYSA-N
XLogP5.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.93
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103547063
1-(5-chlorothiophen-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43492048
2-(1-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)ethanamine
CID 79988409
1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 63419605
1-(5-chlorothiophen-2-yl)-N-ethyl-3,5-dimethylhexan-1-amine
CID 114201788
1-(5-chlorothiophen-2-yl)-N-ethyl-3-methylidenepentan-1-amine
CID 105005837
2-(1-adamantyl)-1-(3-bromofuran-2-yl)-N-ethylethanamine
CID 115861663
1-(5-chlorothiophen-2-yl)-N-ethylpent-4-en-1-amine
CID 104987378
1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028730
1-(5-chlorothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 43492060
1-(5-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 115415518
2-(1-adamantyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
CID 79988914

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(1-adamantyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine (CID 79988041) is 2-(1-adamantyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(1-adamantyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(1-adamantyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine is CCNC(CC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)s1.
What is the InChIKey of 2-(1-adamantyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine?
The InChIKey is UOBGQHJYBCIBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNS/c1-2-20-15(16-3-4-17(19)21-16)11-18-8-12-5-13(9-18)7-14(6-12)10-18/h3-4,12-15,20H,2,5-11H2,1H3.
What are the key properties of 2-(1-adamantyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine?
2-(1-adamantyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine has a molecular weight of 323.93 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine is sourced from PubChem (CID 79988041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).