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

C12H18ClNOS — CID 115841409

IUPAC2-(5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
SMILESCNC(Cc1ccc(Cl)s1)C1CCC(C)O1
InChIInChI=1S/C12H18ClNOS/c1-8-3-5-11(15-8)10(14-2)7-9-4-6-12(13)16-9/h4,6,8,10-11,14H,3,5,7H2,1-2H3
InChIKeyXRHNCZQOBWIKNI-UHFFFAOYSA-N
MW259.80 g/mol
LogP3.10
Rot. Bonds4

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

2-(5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine (PubChem CID 115841409) 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-(5-methyloxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
PubChem CID115841409
Molecular FormulaC12H18ClNOS
Molecular Weight259.80 g/mol
Exact Mass259.08
IUPAC Name2-(5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
SMILESCNC(Cc1ccc(Cl)s1)C1CCC(C)O1
InChIInChI=1S/C12H18ClNOS/c1-8-3-5-11(15-8)10(14-2)7-9-4-6-12(13)16-9/h4,6,8,10-11,14H,3,5,7H2,1-2H3
InChIKeyXRHNCZQOBWIKNI-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

Analyze 2-(5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-ethylthiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 115842333
2-(5-chlorothiophen-2-yl)-1-(5-methyloxolan-2-yl)ethanamine
CID 115841479
2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 115841757
2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 65334443
2-(3,4-dichlorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 115843383
2-(5-chlorothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine
CID 65393739
N-methyl-1-(5-methyloxolan-2-yl)-2-thiophen-3-ylethanamine
CID 115845115
2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine
CID 107188272
2-(5-chlorothiophen-2-yl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79665219
N-methyl-1-(5-methyloxolan-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828617
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 105031407
(5-chlorothiophen-2-yl)-(5-methyloxolan-2-yl)methanol
CID 81330692

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine (CID 115841409) is 2-(5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine is CNC(Cc1ccc(Cl)s1)C1CCC(C)O1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine?
The InChIKey is XRHNCZQOBWIKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNOS/c1-8-3-5-11(15-8)10(14-2)7-9-4-6-12(13)16-9/h4,6,8,10-11,14H,3,5,7H2,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine?
2-(5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-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-(5-methyloxolan-2-yl)ethanamine is sourced from PubChem (CID 115841409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).