2-(1-benzothiophen-3-yl)-1-(2,5-dichlorophenyl)ethanamine

C16H13Cl2NS — CID 115823854

IUPAC2-(1-benzothiophen-3-yl)-1-(2,5-dichlorophenyl)ethanamine
SMILESNC(Cc1csc2ccccc12)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H13Cl2NS/c17-11-5-6-14(18)13(8-11)15(19)7-10-9-20-16-4-2-1-3-12(10)16/h1-6,8-9,15H,7,19H2
InChIKeyUWQJQJLWGUVYGD-UHFFFAOYSA-N
MW322.26 g/mol
LogP5.45
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-1-(2,5-dichlorophenyl)ethanamine

2-(1-benzothiophen-3-yl)-1-(2,5-dichlorophenyl)ethanamine (PubChem CID 115823854) has the molecular formula C16H13Cl2NS and a molecular weight of 322.26 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(2,5-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(2,5-dichlorophenyl)ethanamine
PubChem CID115823854
Molecular FormulaC16H13Cl2NS
Molecular Weight322.26 g/mol
Exact Mass321.01
IUPAC Name2-(1-benzothiophen-3-yl)-1-(2,5-dichlorophenyl)ethanamine
SMILESNC(Cc1csc2ccccc12)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H13Cl2NS/c17-11-5-6-14(18)13(8-11)15(19)7-10-9-20-16-4-2-1-3-12(10)16/h1-6,8-9,15H,7,19H2
InChIKeyUWQJQJLWGUVYGD-UHFFFAOYSA-N
XLogP5.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.26
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzothiophen-3-yl)-1-(4-chloro-2-methoxyphenyl)ethanamine
CID 115824040
2-(1-benzothiophen-3-yl)-1-phenylethanamine
CID 62720010
1-(1-benzothiophen-3-yl)-3-(2,6-dichlorophenyl)propan-2-amine
CID 63737420
2-(1-benzothiophen-3-yl)-1-(3,4,5-trifluorophenyl)ethanamine
CID 63736733
2-(1-benzothiophen-3-yl)-1-(2-methylfuran-3-yl)ethanamine
CID 104789815
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 102622560
1-(1-benzofuran-2-yl)-2-(1-benzothiophen-3-yl)ethanamine
CID 63738304
2-(5-chlorothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanamine
CID 115841631
1-(2,5-dichlorophenyl)-2-(2-nitrophenyl)ethanamine
CID 61079957
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 105037869
3-[3-bromo-2-(4-chlorophenyl)propyl]-1-benzothiophene
CID 79434965
2-amino-3-(1-benzothiophen-3-yl)propanal
CID 23504453

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(2,5-dichlorophenyl)ethanamine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(2,5-dichlorophenyl)ethanamine (CID 115823854) is 2-(1-benzothiophen-3-yl)-1-(2,5-dichlorophenyl)ethanamine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(2,5-dichlorophenyl)ethanamine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(2,5-dichlorophenyl)ethanamine is NC(Cc1csc2ccccc12)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(2,5-dichlorophenyl)ethanamine?
The InChIKey is UWQJQJLWGUVYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NS/c17-11-5-6-14(18)13(8-11)15(19)7-10-9-20-16-4-2-1-3-12(10)16/h1-6,8-9,15H,7,19H2.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(2,5-dichlorophenyl)ethanamine?
2-(1-benzothiophen-3-yl)-1-(2,5-dichlorophenyl)ethanamine has a molecular weight of 322.26 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-(2,5-dichlorophenyl)ethanamine is sourced from PubChem (CID 115823854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).