1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine

C11H16ClNS — CID 103406586

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)C(NCC)c1scc(C)c1Cl
InChIInChI=1S/C11H16ClNS/c1-5-13-10(7(2)3)11-9(12)8(4)6-14-11/h6,10,13H,2,5H2,1,3-4H3
InChIKeyGGOZIDBUXOTANT-UHFFFAOYSA-N
MW229.78 g/mol
LogP3.94
Rot. Bonds4

About 1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine

1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine (PubChem CID 103406586) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine
PubChem CID103406586
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)C(NCC)c1scc(C)c1Cl
InChIInChI=1S/C11H16ClNS/c1-5-13-10(7(2)3)11-9(12)8(4)6-14-11/h6,10,13H,2,5H2,1,3-4H3
InChIKeyGGOZIDBUXOTANT-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.78
LogP ≤ 53.94
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-(3-chloro-4-methylthiophen-2-yl)-2-methylprop-2-en-1-ol
CID 103408117
N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-en-1-amine
CID 105163726
1-(3-chloro-4-methylthiophen-2-yl)-3-methylbut-3-en-1-ol
CID 103408113
1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-methylpentan-1-amine
CID 107893654
N-[(3-chloro-4-methylthiophen-2-yl)-(4-chlorophenyl)methyl]ethanamine
CID 103400778
1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 103406220
N-[(3-chloro-4-methylthiophen-2-yl)-(4-propylphenyl)methyl]ethanamine
CID 103400826
1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 105005190
N-[(3-chloro-4-methylthiophen-2-yl)-(2,5-dibromo-4-methylphenyl)methyl]ethanamine
CID 103401324
N-[(4-bromo-2,5-dimethylphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 103401157
1-(3-chloro-4-methylthiophen-2-yl)pentan-1-ol
CID 103407883
N-ethyl-1-(5-iodothiophen-3-yl)-2-methylprop-2-en-1-amine
CID 105005415

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine (CID 103406586) is 1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine is C=C(C)C(NCC)c1scc(C)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine?
The InChIKey is GGOZIDBUXOTANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c1-5-13-10(7(2)3)11-9(12)8(4)6-14-11/h6,10,13H,2,5H2,1,3-4H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine?
1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine has a molecular weight of 229.78 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine is sourced from PubChem (CID 103406586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).