2-(2,5-dichlorophenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine

C14H14Cl2INS — CID 115863174

IUPAC2-(2,5-dichlorophenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
SMILESCCNC(Cc1cc(Cl)ccc1Cl)c1csc(I)c1
InChIInChI=1S/C14H14Cl2INS/c1-2-18-13(10-7-14(17)19-8-10)6-9-5-11(15)3-4-12(9)16/h3-5,7-8,13,18H,2,6H2,1H3
InChIKeyZIRBYDQMSIWYBP-UHFFFAOYSA-N
MW426.15 g/mol
LogP5.55
Rot. Bonds5

About 2-(2,5-dichlorophenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine

2-(2,5-dichlorophenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine (PubChem CID 115863174) has the molecular formula C14H14Cl2INS and a molecular weight of 426.15 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
PubChem CID115863174
Molecular FormulaC14H14Cl2INS
Molecular Weight426.15 g/mol
Exact Mass424.93
IUPAC Name2-(2,5-dichlorophenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
SMILESCCNC(Cc1cc(Cl)ccc1Cl)c1csc(I)c1
InChIInChI=1S/C14H14Cl2INS/c1-2-18-13(10-7-14(17)19-8-10)6-9-5-11(15)3-4-12(9)16/h3-5,7-8,13,18H,2,6H2,1H3
InChIKeyZIRBYDQMSIWYBP-UHFFFAOYSA-N
XLogP5.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.15
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dichlorophenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
CID 115863017
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
CID 106867253
2-(3-chlorophenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
CID 79693343
2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
CID 115863164
N-[2-(2-chloro-5-fluorophenyl)-1-(5-iodothiophen-3-yl)ethyl]propan-1-amine
CID 102622498
N-ethyl-2-(2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine
CID 79693438
N-ethyl-2-(4-ethylphenyl)-1-(5-iodothiophen-3-yl)ethanamine
CID 115803429
1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 106692130
2-(2,5-dichlorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine
CID 65321381
2-(2,5-dichlorophenyl)-N-ethyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105151514
1-(2,3-dichlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863199
2-(2,4-dichlorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115839956

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine?
The IUPAC name of 2-(2,5-dichlorophenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine (CID 115863174) is 2-(2,5-dichlorophenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine is CCNC(Cc1cc(Cl)ccc1Cl)c1csc(I)c1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine?
The InChIKey is ZIRBYDQMSIWYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2INS/c1-2-18-13(10-7-14(17)19-8-10)6-9-5-11(15)3-4-12(9)16/h3-5,7-8,13,18H,2,6H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine?
2-(2,5-dichlorophenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine has a molecular weight of 426.15 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine is sourced from PubChem (CID 115863174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).