N-[1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine

C15H13Cl2NS2 — CID 63507972

IUPACN-[1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1cc2ccccc2s1)c1cc(Cl)sc1Cl
InChIInChI=1S/C15H13Cl2NS2/c1-2-18-14(10-8-13(16)20-15(10)17)12-7-9-5-3-4-6-11(9)19-12/h3-8,14,18H,2H2,1H3
InChIKeyWFEFHOHIOJLMKZ-UHFFFAOYSA-N
MW342.32 g/mol
LogP5.97
Rot. Bonds4

About N-[1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine

N-[1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine (PubChem CID 63507972) has the molecular formula C15H13Cl2NS2 and a molecular weight of 342.32 g/mol. Its IUPAC name is N-[1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
PubChem CID63507972
Molecular FormulaC15H13Cl2NS2
Molecular Weight342.32 g/mol
Exact Mass340.99
IUPAC NameN-[1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1cc2ccccc2s1)c1cc(Cl)sc1Cl
InChIInChI=1S/C15H13Cl2NS2/c1-2-18-14(10-8-13(16)20-15(10)17)12-7-9-5-3-4-6-11(9)19-12/h3-8,14,18H,2H2,1H3
InChIKeyWFEFHOHIOJLMKZ-UHFFFAOYSA-N
XLogP5.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.32
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dichlorothiophen-3-yl)-naphthalen-1-ylmethyl]ethanamine
CID 43493136
1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methanamine
CID 61406697
N-[1-benzothiophen-2-yl-(5-bromo-4-chlorothiophen-2-yl)methyl]ethanamine
CID 80531171
N-[1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102840880
N-[(2,5-dichlorothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 65237651
N-[(2-chlorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine
CID 105099912
N-[1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115851962
N-[(2-bromophenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 43493123
N-[(2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 43493036
N-[(2-chloro-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 107969347
N-[1-benzothiophen-2-yl-(3-bromo-4-fluorophenyl)methyl]ethanamine
CID 79722957
N-[(2,5-dichlorothiophen-3-yl)-(2-methylphenyl)methyl]propan-1-amine
CID 43497806

Frequently Asked Questions

What is the IUPAC name of N-[1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine (CID 63507972) is N-[1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine is CCNC(c1cc2ccccc2s1)c1cc(Cl)sc1Cl.
What is the InChIKey of N-[1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine?
The InChIKey is WFEFHOHIOJLMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NS2/c1-2-18-14(10-8-13(16)20-15(10)17)12-7-9-5-3-4-6-11(9)19-12/h3-8,14,18H,2H2,1H3.
What are the key properties of N-[1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine?
N-[1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine has a molecular weight of 342.32 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 63507972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).