1-(2,5-dichlorothiophen-3-yl)-N-(2-ethoxyethyl)ethanamine

C10H15Cl2NOS — CID 115709946

IUPAC1-(2,5-dichlorothiophen-3-yl)-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCNC(C)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H15Cl2NOS/c1-3-14-5-4-13-7(2)8-6-9(11)15-10(8)12/h6-7,13H,3-5H2,1-2H3
InChIKeyZFSCFRODZBRKLF-UHFFFAOYSA-N
MW268.21 g/mol
LogP3.74
Rot. Bonds6

About 1-(2,5-dichlorothiophen-3-yl)-N-(2-ethoxyethyl)ethanamine

1-(2,5-dichlorothiophen-3-yl)-N-(2-ethoxyethyl)ethanamine (PubChem CID 115709946) has the molecular formula C10H15Cl2NOS and a molecular weight of 268.21 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-N-(2-ethoxyethyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-N-(2-ethoxyethyl)ethanamine
PubChem CID115709946
Molecular FormulaC10H15Cl2NOS
Molecular Weight268.21 g/mol
Exact Mass267.03
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCNC(C)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H15Cl2NOS/c1-3-14-5-4-13-7(2)8-6-9(11)15-10(8)12/h6-7,13H,3-5H2,1-2H3
InChIKeyZFSCFRODZBRKLF-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.21
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497740
1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 43493044
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-methylsulfanylbutan-1-amine
CID 115716103
1-(2,5-dichlorothiophen-3-yl)-N-(2-methylsulfinylethyl)ethanamine
CID 115720708
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 103787665
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-methylsulfinylbutan-1-amine
CID 113348956
1-(2,5-dichlorothiophen-3-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 113262767
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 107968621
1-(2,5-dichlorothiophen-3-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106259694
(1R)-1-(4-chlorophenyl)-N-(2-ethoxyethyl)ethanamine
CID 81353277
1-(3-chloro-4-fluorophenyl)-N-(2-ethoxyethyl)ethanamine
CID 43590710
1-(2,5-dichlorothiophen-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 113348433

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-(2-ethoxyethyl)ethanamine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-(2-ethoxyethyl)ethanamine (CID 115709946) is 1-(2,5-dichlorothiophen-3-yl)-N-(2-ethoxyethyl)ethanamine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-N-(2-ethoxyethyl)ethanamine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-N-(2-ethoxyethyl)ethanamine is CCOCCNC(C)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-N-(2-ethoxyethyl)ethanamine?
The InChIKey is ZFSCFRODZBRKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2NOS/c1-3-14-5-4-13-7(2)8-6-9(11)15-10(8)12/h6-7,13H,3-5H2,1-2H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-N-(2-ethoxyethyl)ethanamine?
1-(2,5-dichlorothiophen-3-yl)-N-(2-ethoxyethyl)ethanamine has a molecular weight of 268.21 g/mol, XLogP of 3.74, 6 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-(2-ethoxyethyl)ethanamine is sourced from PubChem (CID 115709946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).