1-(3-chlorothiophen-2-yl)-N-methyl-2-propan-2-yloxyethanamine

C10H16ClNOS — CID 105013001

IUPAC1-(3-chlorothiophen-2-yl)-N-methyl-2-propan-2-yloxyethanamine
SMILESCNC(COC(C)C)c1sccc1Cl
InChIInChI=1S/C10H16ClNOS/c1-7(2)13-6-9(12-3)10-8(11)4-5-14-10/h4-5,7,9,12H,6H2,1-3H3
InChIKeyCQVFBMQUEGETLA-UHFFFAOYSA-N
MW233.76 g/mol
LogP3.09
Rot. Bonds5

About 1-(3-chlorothiophen-2-yl)-N-methyl-2-propan-2-yloxyethanamine

1-(3-chlorothiophen-2-yl)-N-methyl-2-propan-2-yloxyethanamine (PubChem CID 105013001) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-N-methyl-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-N-methyl-2-propan-2-yloxyethanamine
PubChem CID105013001
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC Name1-(3-chlorothiophen-2-yl)-N-methyl-2-propan-2-yloxyethanamine
SMILESCNC(COC(C)C)c1sccc1Cl
InChIInChI=1S/C10H16ClNOS/c1-7(2)13-6-9(12-3)10-8(11)4-5-14-10/h4-5,7,9,12H,6H2,1-3H3
InChIKeyCQVFBMQUEGETLA-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.76
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorothiophen-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 107361690
1-(3-chlorothiophen-2-yl)-N,5-dimethylhexan-1-amine
CID 105028560
1-(3-chlorothiophen-2-yl)-N,3,4,4-tetramethylpentan-1-amine
CID 80529216
1-(3-chlorothiophen-2-yl)-N-methyltridecan-1-amine
CID 115846498
1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 80528966
1-(3-chlorothiophen-2-yl)-2,2-diethoxy-N-methylethanamine
CID 107359970
[1-(3-chlorothiophen-2-yl)-4-methoxy-3-methylbutyl]hydrazine
CID 107362431
2-(3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylethanamine
CID 80529067
1-(3-chlorothiophen-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 115843408
1-(3-chlorothiophen-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 80529156
N-ethyl-1-(3-ethylthiophen-2-yl)-2-propan-2-yloxyethanamine
CID 105013350
N-methyl-1-(5-methylthiophen-3-yl)-2-propan-2-yloxyethanamine
CID 105155405

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-N-methyl-2-propan-2-yloxyethanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-N-methyl-2-propan-2-yloxyethanamine (CID 105013001) is 1-(3-chlorothiophen-2-yl)-N-methyl-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-N-methyl-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-N-methyl-2-propan-2-yloxyethanamine is CNC(COC(C)C)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-N-methyl-2-propan-2-yloxyethanamine?
The InChIKey is CQVFBMQUEGETLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNOS/c1-7(2)13-6-9(12-3)10-8(11)4-5-14-10/h4-5,7,9,12H,6H2,1-3H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-N-methyl-2-propan-2-yloxyethanamine?
1-(3-chlorothiophen-2-yl)-N-methyl-2-propan-2-yloxyethanamine has a molecular weight of 233.76 g/mol, XLogP of 3.09, 5 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-propan-2-yloxyethanamine is sourced from PubChem (CID 105013001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).