1-(5-chloro-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine

C14H12ClNOS — CID 114728319

IUPAC1-(5-chloro-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine
SMILESNC(Cc1cccs1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C14H12ClNOS/c15-10-3-4-13-9(6-10)7-14(17-13)12(16)8-11-2-1-5-18-11/h1-7,12H,8,16H2
InChIKeyIBUKFDXPZKSQEG-UHFFFAOYSA-N
MW277.78 g/mol
LogP4.39
Rot. Bonds3

About 1-(5-chloro-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine

1-(5-chloro-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine (PubChem CID 114728319) has the molecular formula C14H12ClNOS and a molecular weight of 277.78 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine
PubChem CID114728319
Molecular FormulaC14H12ClNOS
Molecular Weight277.78 g/mol
Exact Mass277.03
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine
SMILESNC(Cc1cccs1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C14H12ClNOS/c15-10-3-4-13-9(6-10)7-14(17-13)12(16)8-11-2-1-5-18-11/h1-7,12H,8,16H2
InChIKeyIBUKFDXPZKSQEG-UHFFFAOYSA-N
XLogP4.39
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-chloro-1-benzofuran-2-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105211760
1-(5-chloro-1-benzofuran-2-yl)-2-(thian-4-yl)ethanamine
CID 105185669
[1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-yl]hydrazine
CID 105211872
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine
CID 55012940
1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanol
CID 114726287
[1-(5-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-yl]hydrazine
CID 103053551
1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol
CID 114854584
(5-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-3-yl)methanamine
CID 114082945
2-[2-chloro-2-(2,5-dichlorophenyl)ethyl]thiophene
CID 63520249
(5-chloro-1-benzofuran-2-yl)-(furan-2-yl)methanamine
CID 114728388
2-(1-bromoethyl)-5-chloro-1-benzofuran
CID 70533490
(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
CID 96826863

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine (CID 114728319) is 1-(5-chloro-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine is NC(Cc1cccs1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine?
The InChIKey is IBUKFDXPZKSQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNOS/c15-10-3-4-13-9(6-10)7-14(17-13)12(16)8-11-2-1-5-18-11/h1-7,12H,8,16H2.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine?
1-(5-chloro-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine has a molecular weight of 277.78 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 114728319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).