2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-4-yl)ethanamine

C12H18ClNOS — CID 65334443

IUPAC2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-4-yl)ethanamine
SMILESCNC(Cc1ccc(Cl)s1)C1CCOCC1
InChIInChI=1S/C12H18ClNOS/c1-14-11(9-4-6-15-7-5-9)8-10-2-3-12(13)16-10/h2-3,9,11,14H,4-8H2,1H3
InChIKeyYQHFPWMKAPAWKF-UHFFFAOYSA-N
MW259.80 g/mol
LogP2.96
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-4-yl)ethanamine

2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-4-yl)ethanamine (PubChem CID 65334443) has the molecular formula C12H18ClNOS and a molecular weight of 259.80 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-4-yl)ethanamine
PubChem CID65334443
Molecular FormulaC12H18ClNOS
Molecular Weight259.80 g/mol
Exact Mass259.08
IUPAC Name2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-4-yl)ethanamine
SMILESCNC(Cc1ccc(Cl)s1)C1CCOCC1
InChIInChI=1S/C12H18ClNOS/c1-14-11(9-4-6-15-7-5-9)8-10-2-3-12(13)16-10/h2-3,9,11,14H,4-8H2,1H3
InChIKeyYQHFPWMKAPAWKF-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.80
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chlorothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine
CID 65393739
2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 115841757
2-(5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 115841409
2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 112653790
2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine
CID 107188272
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine
CID 55185869
[2-(5-ethylthiophen-2-yl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105229678
2-(2,4-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 64561011
2-(2,3-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 65334965
2-(5-chlorothiophen-2-yl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79665219
2-(5-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423025
2-(5-chlorothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105135106

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-4-yl)ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-4-yl)ethanamine (CID 65334443) is 2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-4-yl)ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-4-yl)ethanamine is CNC(Cc1ccc(Cl)s1)C1CCOCC1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-4-yl)ethanamine?
The InChIKey is YQHFPWMKAPAWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNOS/c1-14-11(9-4-6-15-7-5-9)8-10-2-3-12(13)16-10/h2-3,9,11,14H,4-8H2,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-4-yl)ethanamine?
2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-4-yl)ethanamine has a molecular weight of 259.80 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 65334443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).