1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methylsulfanylethanamine

C13H16ClNOS — CID 114728420

IUPAC1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methylsulfanylethanamine
SMILESCCNC(CSC)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C13H16ClNOS/c1-3-15-11(8-17-2)13-7-9-6-10(14)4-5-12(9)16-13/h4-7,11,15H,3,8H2,1-2H3
InChIKeyQBJKYYGOICEEGY-UHFFFAOYSA-N
MW269.80 g/mol
LogP4.10
Rot. Bonds5

About 1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methylsulfanylethanamine

1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methylsulfanylethanamine (PubChem CID 114728420) has the molecular formula C13H16ClNOS and a molecular weight of 269.80 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methylsulfanylethanamine.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methylsulfanylethanamine
PubChem CID114728420
Molecular FormulaC13H16ClNOS
Molecular Weight269.80 g/mol
Exact Mass269.06
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methylsulfanylethanamine
SMILESCCNC(CSC)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C13H16ClNOS/c1-3-15-11(8-17-2)13-7-9-6-10(14)4-5-12(9)16-13/h4-7,11,15H,3,8H2,1-2H3
InChIKeyQBJKYYGOICEEGY-UHFFFAOYSA-N
XLogP4.10
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-4-methoxypentan-1-amine
CID 105185660
1-(5-chloro-1-benzofuran-2-yl)-3-methylsulfanyl-N-propylpropan-1-amine
CID 105185639
1-(5-chloro-1-benzofuran-2-yl)butylhydrazine
CID 105202028
N-[7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methyl]ethanamine
CID 105045723
1-(5-chloro-1-benzofuran-2-yl)-N,2-diethylhexan-1-amine
CID 105045797
1-(5-chloro-1-benzofuran-2-yl)-3-methyl-N-propylpentan-1-amine
CID 105045883
2-tert-butylsulfanyl-N-ethyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
CID 114728947
1-(1-benzofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 64632858
N-[(5-chloro-1-benzofuran-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine
CID 105045843
1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
CID 114731265
N-[(5-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 105045861
N-[(5-chloro-1-benzofuran-2-yl)-(3-methyloxolan-2-yl)methyl]ethanamine
CID 105045848

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methylsulfanylethanamine?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methylsulfanylethanamine (CID 114728420) is 1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methylsulfanylethanamine.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methylsulfanylethanamine?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methylsulfanylethanamine is CCNC(CSC)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methylsulfanylethanamine?
The InChIKey is QBJKYYGOICEEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNOS/c1-3-15-11(8-17-2)13-7-9-6-10(14)4-5-12(9)16-13/h4-7,11,15H,3,8H2,1-2H3.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methylsulfanylethanamine?
1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methylsulfanylethanamine has a molecular weight of 269.80 g/mol, XLogP of 4.10, 5 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)-N-ethyl-2-methylsulfanylethanamine is sourced from PubChem (CID 114728420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).