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

C12H18ClNOS — CID 115841757

IUPAC2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-2-yl)ethanamine
SMILESCNC(Cc1ccc(Cl)s1)C1CCCCO1
InChIInChI=1S/C12H18ClNOS/c1-14-10(11-4-2-3-7-15-11)8-9-5-6-12(13)16-9/h5-6,10-11,14H,2-4,7-8H2,1H3
InChIKeyDEJQXHSSUMKWII-UHFFFAOYSA-N
MW259.80 g/mol
LogP3.10
Rot. Bonds4

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

2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-2-yl)ethanamine (PubChem CID 115841757) 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-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-2-yl)ethanamine
PubChem CID115841757
Molecular FormulaC12H18ClNOS
Molecular Weight259.80 g/mol
Exact Mass259.08
IUPAC Name2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-2-yl)ethanamine
SMILESCNC(Cc1ccc(Cl)s1)C1CCCCO1
InChIInChI=1S/C12H18ClNOS/c1-14-10(11-4-2-3-7-15-11)8-9-5-6-12(13)16-9/h5-6,10-11,14H,2-4,7-8H2,1H3
InChIKeyDEJQXHSSUMKWII-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 115841409
2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 65334443
2-(5-chlorothiophen-2-yl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79665219
2-(5-chloro-2-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 103053273
2-(5-chlorothiophen-2-yl)-1-(oxolan-2-yl)ethanamine
CID 65331436
2-(5-chlorothiophen-2-yl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine
CID 79657785
2-(3,4-dichlorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 115843395
2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine
CID 107188272
2-(5-chlorothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine
CID 65393739
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 103043459
2-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)ethanamine
CID 61063961
N-methyl-1-(oxan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 115849284

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-2-yl)ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-2-yl)ethanamine (CID 115841757) is 2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-2-yl)ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-2-yl)ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-2-yl)ethanamine is CNC(Cc1ccc(Cl)s1)C1CCCCO1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-2-yl)ethanamine?
The InChIKey is DEJQXHSSUMKWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNOS/c1-14-10(11-4-2-3-7-15-11)8-9-5-6-12(13)16-9/h5-6,10-11,14H,2-4,7-8H2,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-2-yl)ethanamine?
2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-2-yl)ethanamine has a molecular weight of 259.80 g/mol, XLogP of 3.10, 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-2-yl)ethanamine is sourced from PubChem (CID 115841757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).