3-cyclopropyl-1-(2,5-dichlorothiophen-3-yl)-N-methylpropan-1-amine

C11H15Cl2NS — CID 107968452

IUPAC3-cyclopropyl-1-(2,5-dichlorothiophen-3-yl)-N-methylpropan-1-amine
SMILESCNC(CCC1CC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H15Cl2NS/c1-14-9(5-4-7-2-3-7)8-6-10(12)15-11(8)13/h6-7,9,14H,2-5H2,1H3
InChIKeyHYDDJRJSHJTUFA-UHFFFAOYSA-N
MW264.22 g/mol
LogP4.51
Rot. Bonds5

About 3-cyclopropyl-1-(2,5-dichlorothiophen-3-yl)-N-methylpropan-1-amine

3-cyclopropyl-1-(2,5-dichlorothiophen-3-yl)-N-methylpropan-1-amine (PubChem CID 107968452) has the molecular formula C11H15Cl2NS and a molecular weight of 264.22 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,5-dichlorothiophen-3-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,5-dichlorothiophen-3-yl)-N-methylpropan-1-amine
PubChem CID107968452
Molecular FormulaC11H15Cl2NS
Molecular Weight264.22 g/mol
Exact Mass263.03
IUPAC Name3-cyclopropyl-1-(2,5-dichlorothiophen-3-yl)-N-methylpropan-1-amine
SMILESCNC(CCC1CC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H15Cl2NS/c1-14-9(5-4-7-2-3-7)8-6-10(12)15-11(8)13/h6-7,9,14H,2-5H2,1H3
InChIKeyHYDDJRJSHJTUFA-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-cyclopropyl-1-(2,5-dichlorothiophen-3-yl)propyl]hydrazine
CID 107970378
1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 107968191
1-(5-chloro-4-methylthiophen-2-yl)-3-cyclohexyl-N-methylpropan-1-amine
CID 102763726
3-cyclopentyl-1-(2,5-dichlorothiophen-3-yl)propan-1-ol
CID 63426516
2-(1-adamantyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
CID 79988914
1-(5-bromo-4-chlorothiophen-2-yl)-3-cyclohexyl-N-methylpropan-1-amine
CID 80530913
3-cyclopropyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
CID 104994963
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 107968196
1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 43486785
3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-methylpropan-1-amine
CID 79779895
2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
CID 114022091
3-cyclopropyl-1-(3,6-dimethylpyridazin-4-yl)-N-methylpropan-1-amine
CID 105157733

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2,5-dichlorothiophen-3-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-cyclopropyl-1-(2,5-dichlorothiophen-3-yl)-N-methylpropan-1-amine (CID 107968452) is 3-cyclopropyl-1-(2,5-dichlorothiophen-3-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-cyclopropyl-1-(2,5-dichlorothiophen-3-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-cyclopropyl-1-(2,5-dichlorothiophen-3-yl)-N-methylpropan-1-amine is CNC(CCC1CC1)c1cc(Cl)sc1Cl.
What is the InChIKey of 3-cyclopropyl-1-(2,5-dichlorothiophen-3-yl)-N-methylpropan-1-amine?
The InChIKey is HYDDJRJSHJTUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NS/c1-14-9(5-4-7-2-3-7)8-6-10(12)15-11(8)13/h6-7,9,14H,2-5H2,1H3.
What are the key properties of 3-cyclopropyl-1-(2,5-dichlorothiophen-3-yl)-N-methylpropan-1-amine?
3-cyclopropyl-1-(2,5-dichlorothiophen-3-yl)-N-methylpropan-1-amine has a molecular weight of 264.22 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,5-dichlorothiophen-3-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 107968452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).