1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine

C12H20ClNOS — CID 103028730

IUPAC1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
SMILESCCNC(CC(C)(C)OC)c1ccc(Cl)s1
InChIInChI=1S/C12H20ClNOS/c1-5-14-9(8-12(2,3)15-4)10-6-7-11(13)16-10/h6-7,9,14H,5,8H2,1-4H3
InChIKeySRKHCXFALVTZOR-UHFFFAOYSA-N
MW261.82 g/mol
LogP3.87
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine

1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine (PubChem CID 103028730) has the molecular formula C12H20ClNOS and a molecular weight of 261.82 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
PubChem CID103028730
Molecular FormulaC12H20ClNOS
Molecular Weight261.82 g/mol
Exact Mass261.10
IUPAC Name1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
SMILESCCNC(CC(C)(C)OC)c1ccc(Cl)s1
InChIInChI=1S/C12H20ClNOS/c1-5-14-9(8-12(2,3)15-4)10-6-7-11(13)16-10/h6-7,9,14H,5,8H2,1-4H3
InChIKeySRKHCXFALVTZOR-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.82
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43492048
1-(5-chlorothiophen-2-yl)-N-ethyl-3,5-dimethylhexan-1-amine
CID 114201788
1-(5-chlorothiophen-2-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine
CID 103149716
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)-2-ethoxy-N-ethyl-2-methylpropan-1-amine
CID 116726933
2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 115844898
1-(5-chlorothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 43492060
1-(5-chlorothiophen-2-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028130
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
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104759481

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine (CID 103028730) is 1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine is CCNC(CC(C)(C)OC)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine?
The InChIKey is SRKHCXFALVTZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNOS/c1-5-14-9(8-12(2,3)15-4)10-6-7-11(13)16-10/h6-7,9,14H,5,8H2,1-4H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine?
1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine has a molecular weight of 261.82 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 103028730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).