1-(5-chlorothiophen-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine

C12H20ClNS — CID 43492048

IUPAC1-(5-chlorothiophen-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCNC(CC(C)(C)C)c1ccc(Cl)s1
InChIInChI=1S/C12H20ClNS/c1-5-14-9(8-12(2,3)4)10-6-7-11(13)15-10/h6-7,9,14H,5,8H2,1-4H3
InChIKeyOXXUYJIGLRGYBY-UHFFFAOYSA-N
MW245.82 g/mol
LogP4.49
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine

1-(5-chlorothiophen-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine (PubChem CID 43492048) has the molecular formula C12H20ClNS and a molecular weight of 245.82 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
PubChem CID43492048
Molecular FormulaC12H20ClNS
Molecular Weight245.82 g/mol
Exact Mass245.10
IUPAC Name1-(5-chlorothiophen-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCNC(CC(C)(C)C)c1ccc(Cl)s1
InChIInChI=1S/C12H20ClNS/c1-5-14-9(8-12(2,3)4)10-6-7-11(13)15-10/h6-7,9,14H,5,8H2,1-4H3
InChIKeyOXXUYJIGLRGYBY-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.82
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028730
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
1-(5-chlorothiophen-2-yl)-N-ethylpent-4-en-1-amine
CID 104987378
1-(5-chlorothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 43492060
1-(5-chlorothiophen-2-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine
CID 103149716
1-(5-chlorothiophen-2-yl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103547063
2-(1-adamantyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 79988041
1-(5-chlorothiophen-2-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine
CID 116726933
N-[(5-chlorothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 43492083
N-[1-(5-chlorothiophen-2-yl)propyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115726040
N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 61469472

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine (CID 43492048) is 1-(5-chlorothiophen-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine is CCNC(CC(C)(C)C)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine?
The InChIKey is OXXUYJIGLRGYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNS/c1-5-14-9(8-12(2,3)4)10-6-7-11(13)15-10/h6-7,9,14H,5,8H2,1-4H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine?
1-(5-chlorothiophen-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine has a molecular weight of 245.82 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 1-(5-chlorothiophen-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 43492048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).