1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(oxan-4-yl)ethanamine

C12H17Cl2NOS — CID 107968191

IUPAC1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(oxan-4-yl)ethanamine
SMILESCNC(CC1CCOCC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H17Cl2NOS/c1-15-10(6-8-2-4-16-5-3-8)9-7-11(13)17-12(9)14/h7-8,10,15H,2-6H2,1H3
InChIKeyFJPYCTYCFXPEOM-UHFFFAOYSA-N
MW294.25 g/mol
LogP4.13
Rot. Bonds4

About 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(oxan-4-yl)ethanamine

1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(oxan-4-yl)ethanamine (PubChem CID 107968191) has the molecular formula C12H17Cl2NOS and a molecular weight of 294.25 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(oxan-4-yl)ethanamine
PubChem CID107968191
Molecular FormulaC12H17Cl2NOS
Molecular Weight294.25 g/mol
Exact Mass293.04
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(oxan-4-yl)ethanamine
SMILESCNC(CC1CCOCC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H17Cl2NOS/c1-15-10(6-8-2-4-16-5-3-8)9-7-11(13)17-12(9)14/h7-8,10,15H,2-6H2,1H3
InChIKeyFJPYCTYCFXPEOM-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 107968196
[1-(2,5-dichlorothiophen-3-yl)-2-(oxan-4-yl)ethyl]hydrazine
CID 107970203
3-cyclopropyl-1-(2,5-dichlorothiophen-3-yl)-N-methylpropan-1-amine
CID 107968452
(2,5-dichlorothiophen-3-yl)-(oxolan-3-yl)methanamine
CID 61270857
1-(2,5-dichlorothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 62800274
2-(1-adamantyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
CID 79988914
N-methyl-2-(oxolan-3-yl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 113362151
1-(2,4-dimethoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115846581
1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 105138796
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 114330407
[3-cyclopropyl-1-(2,5-dichlorothiophen-3-yl)propyl]hydrazine
CID 107970378
1-(3-chloro-2-pyridinyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 103444184

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(oxan-4-yl)ethanamine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(oxan-4-yl)ethanamine (CID 107968191) is 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(oxan-4-yl)ethanamine is CNC(CC1CCOCC1)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(oxan-4-yl)ethanamine?
The InChIKey is FJPYCTYCFXPEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NOS/c1-15-10(6-8-2-4-16-5-3-8)9-7-11(13)17-12(9)14/h7-8,10,15H,2-6H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(oxan-4-yl)ethanamine?
1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(oxan-4-yl)ethanamine has a molecular weight of 294.25 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 107968191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).