1-(3-chlorothiophen-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine

C11H18ClNOS — CID 107361690

IUPAC1-(3-chlorothiophen-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCNC(COC(C)(C)C)c1sccc1Cl
InChIInChI=1S/C11H18ClNOS/c1-11(2,3)14-7-9(13-4)10-8(12)5-6-15-10/h5-6,9,13H,7H2,1-4H3
InChIKeyOQCIUJICMQQJTE-UHFFFAOYSA-N
MW247.79 g/mol
LogP3.48
Rot. Bonds4

About 1-(3-chlorothiophen-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine

1-(3-chlorothiophen-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine (PubChem CID 107361690) has the molecular formula C11H18ClNOS and a molecular weight of 247.79 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
PubChem CID107361690
Molecular FormulaC11H18ClNOS
Molecular Weight247.79 g/mol
Exact Mass247.08
IUPAC Name1-(3-chlorothiophen-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCNC(COC(C)(C)C)c1sccc1Cl
InChIInChI=1S/C11H18ClNOS/c1-11(2,3)14-7-9(13-4)10-8(12)5-6-15-10/h5-6,9,13H,7H2,1-4H3
InChIKeyOQCIUJICMQQJTE-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.79
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorothiophen-2-yl)-N-methyl-2-propan-2-yloxyethanamine
CID 105013001
1-(3-chlorothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 107361905
1-(3-chlorothiophen-2-yl)-N,3,4,4-tetramethylpentan-1-amine
CID 80529216
1-(3-chlorothiophen-2-yl)-N,5-dimethylhexan-1-amine
CID 105028560
1-(3-chlorothiophen-2-yl)-N-methyltridecan-1-amine
CID 115846498
1-(3-chlorothiophen-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 115843408
[1-(3-chlorothiophen-2-yl)-3-methoxy-3-methylbutyl]hydrazine
CID 107362297
1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 80528966
1-(3-chlorothiophen-2-yl)-2,2-diethoxy-N-methylethanamine
CID 107359970
2-(3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylethanamine
CID 80529067
1-(3-chlorothiophen-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 80529156
[1-(3-chlorothiophen-2-yl)-4-methoxy-3-methylbutyl]hydrazine
CID 107362431

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine (CID 107361690) is 1-(3-chlorothiophen-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine is CNC(COC(C)(C)C)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The InChIKey is OQCIUJICMQQJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNOS/c1-11(2,3)14-7-9(13-4)10-8(12)5-6-15-10/h5-6,9,13H,7H2,1-4H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
1-(3-chlorothiophen-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine has a molecular weight of 247.79 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine is sourced from PubChem (CID 107361690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).