1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-methylprop-2-en-1-amine

C10H13Cl2NS — CID 107968621

IUPAC1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)C(NCC)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H13Cl2NS/c1-4-13-9(6(2)3)7-5-8(11)14-10(7)12/h5,9,13H,2,4H2,1,3H3
InChIKeyXGCQVZKGMUFOKP-UHFFFAOYSA-N
MW250.19 g/mol
LogP4.28
Rot. Bonds4

About 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-methylprop-2-en-1-amine

1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-methylprop-2-en-1-amine (PubChem CID 107968621) has the molecular formula C10H13Cl2NS and a molecular weight of 250.19 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-methylprop-2-en-1-amine
PubChem CID107968621
Molecular FormulaC10H13Cl2NS
Molecular Weight250.19 g/mol
Exact Mass249.01
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)C(NCC)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H13Cl2NS/c1-4-13-9(6(2)3)7-5-8(11)14-10(7)12/h5,9,13H,2,4H2,1,3H3
InChIKeyXGCQVZKGMUFOKP-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 43493044
1-(2,5-dichlorothiophen-3-yl)-N-(2-ethoxyethyl)ethanamine
CID 115709946
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 105005522
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79177729
1-(2,5-dichlorothiophen-3-yl)-N-ethylpent-4-en-1-amine
CID 107968368
N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 43493095
N-[cyclooctyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 65018310
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine
CID 79660890
1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 105005190
1-(2,5-dichlorothiophen-3-yl)-4-methylpent-4-en-1-ol
CID 107969888
N-[(2,5-dichlorothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 65237651
N-[(2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 43493036

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-methylprop-2-en-1-amine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-methylprop-2-en-1-amine (CID 107968621) is 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-methylprop-2-en-1-amine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-methylprop-2-en-1-amine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-methylprop-2-en-1-amine is C=C(C)C(NCC)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-methylprop-2-en-1-amine?
The InChIKey is XGCQVZKGMUFOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NS/c1-4-13-9(6(2)3)7-5-8(11)14-10(7)12/h5,9,13H,2,4H2,1,3H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-methylprop-2-en-1-amine?
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-methylprop-2-en-1-amine has a molecular weight of 250.19 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-methylprop-2-en-1-amine is sourced from PubChem (CID 107968621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).