1-(5-chlorothiophen-2-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine

C12H20ClNOS — CID 116726933

IUPAC1-(5-chlorothiophen-2-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1ccc(Cl)s1)C(C)(C)OCC
InChIInChI=1S/C12H20ClNOS/c1-5-14-11(12(3,4)15-6-2)9-7-8-10(13)16-9/h7-8,11,14H,5-6H2,1-4H3
InChIKeyVEQHXEPAKPFUTE-UHFFFAOYSA-N
MW261.82 g/mol
LogP3.87
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine

1-(5-chlorothiophen-2-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine (PubChem CID 116726933) has the molecular formula C12H20ClNOS and a molecular weight of 261.82 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine
PubChem CID116726933
Molecular FormulaC12H20ClNOS
Molecular Weight261.82 g/mol
Exact Mass261.10
IUPAC Name1-(5-chlorothiophen-2-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1ccc(Cl)s1)C(C)(C)OCC
InChIInChI=1S/C12H20ClNOS/c1-5-14-11(12(3,4)15-6-2)9-7-8-10(13)16-9/h7-8,11,14H,5-6H2,1-4H3
InChIKeyVEQHXEPAKPFUTE-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

2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 116726916
1-(5-chlorothiophen-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43492048
1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028730
N-[(5-chlorothiophen-2-yl)-cycloheptylmethyl]ethanamine
CID 63508833
1-(4-chlorophenyl)-2-ethoxy-N,2-diethylbutan-1-amine
CID 116760163
N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 61469472
N-[(5-chlorothiophen-2-yl)-(1-ethoxycycloheptyl)methyl]ethanamine
CID 116771030
2-ethoxy-N-ethyl-2-methyl-1-pyridin-3-ylpropan-1-amine
CID 116726790
1-(5-chlorothiophen-2-yl)-N-ethyl-3,5-dimethylhexan-1-amine
CID 114201788
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 43491982
N-[(5-chlorothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 43492083
1-(5-chlorothiophen-2-yl)-N-ethyl-3-methylidenepentan-1-amine
CID 105005837

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine (CID 116726933) is 1-(5-chlorothiophen-2-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine is CCNC(c1ccc(Cl)s1)C(C)(C)OCC.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine?
The InChIKey is VEQHXEPAKPFUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNOS/c1-5-14-11(12(3,4)15-6-2)9-7-8-10(13)16-9/h7-8,11,14H,5-6H2,1-4H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine?
1-(5-chlorothiophen-2-yl)-2-ethoxy-N-ethyl-2-methylpropan-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)-2-ethoxy-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 116726933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).