2-butan-2-ylsulfanyl-1-(5-fluoro-1-benzofuran-2-yl)ethanamine

C14H18FNOS — CID 114728983

IUPAC2-butan-2-ylsulfanyl-1-(5-fluoro-1-benzofuran-2-yl)ethanamine
SMILESCCC(C)SCC(N)c1cc2cc(F)ccc2o1
InChIInChI=1S/C14H18FNOS/c1-3-9(2)18-8-12(16)14-7-10-6-11(15)4-5-13(10)17-14/h4-7,9,12H,3,8,16H2,1-2H3
InChIKeyLZOLWYSUQVLTLT-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.10
Rot. Bonds5

About 2-butan-2-ylsulfanyl-1-(5-fluoro-1-benzofuran-2-yl)ethanamine

2-butan-2-ylsulfanyl-1-(5-fluoro-1-benzofuran-2-yl)ethanamine (PubChem CID 114728983) has the molecular formula C14H18FNOS and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-1-(5-fluoro-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-1-(5-fluoro-1-benzofuran-2-yl)ethanamine
PubChem CID114728983
Molecular FormulaC14H18FNOS
Molecular Weight267.37 g/mol
Exact Mass267.11
IUPAC Name2-butan-2-ylsulfanyl-1-(5-fluoro-1-benzofuran-2-yl)ethanamine
SMILESCCC(C)SCC(N)c1cc2cc(F)ccc2o1
InChIInChI=1S/C14H18FNOS/c1-3-9(2)18-8-12(16)14-7-10-6-11(15)4-5-13(10)17-14/h4-7,9,12H,3,8,16H2,1-2H3
InChIKeyLZOLWYSUQVLTLT-UHFFFAOYSA-N
XLogP4.10
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-butan-2-ylsulfanyl-1-(5-fluoro-1-benzofuran-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-fluoro-1-benzofuran-2-yl)decan-1-amine
CID 105046157
2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 105046223
1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine
CID 105201183
1-(5-fluoro-1-benzofuran-2-yl)-2-methoxyethanamine
CID 114728098
1-(5-fluoro-1-benzofuran-2-yl)-N,3-dimethylpentan-1-amine
CID 105046111
diethyl 2-(5-fluoro-1-benzofuran-2-yl)propanedioate
CID 114732709
1-(5-fluoro-1-benzofuran-2-yl)-2-(2-methoxyethoxy)ethanamine
CID 114032995
[1-(5-fluoro-1-benzofuran-2-yl)-2-propylpentyl]hydrazine
CID 105338630
2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114731292
2-(3-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
CID 114729395
1-(5-fluoro-1-benzofuran-2-yl)-2,3-dimethylbutan-1-ol
CID 115836618
3-(5-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 114735578

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-1-(5-fluoro-1-benzofuran-2-yl)ethanamine?
The IUPAC name of 2-butan-2-ylsulfanyl-1-(5-fluoro-1-benzofuran-2-yl)ethanamine (CID 114728983) is 2-butan-2-ylsulfanyl-1-(5-fluoro-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for 2-butan-2-ylsulfanyl-1-(5-fluoro-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for 2-butan-2-ylsulfanyl-1-(5-fluoro-1-benzofuran-2-yl)ethanamine is CCC(C)SCC(N)c1cc2cc(F)ccc2o1.
What is the InChIKey of 2-butan-2-ylsulfanyl-1-(5-fluoro-1-benzofuran-2-yl)ethanamine?
The InChIKey is LZOLWYSUQVLTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNOS/c1-3-9(2)18-8-12(16)14-7-10-6-11(15)4-5-13(10)17-14/h4-7,9,12H,3,8,16H2,1-2H3.
What are the key properties of 2-butan-2-ylsulfanyl-1-(5-fluoro-1-benzofuran-2-yl)ethanamine?
2-butan-2-ylsulfanyl-1-(5-fluoro-1-benzofuran-2-yl)ethanamine has a molecular weight of 267.37 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 2-butan-2-ylsulfanyl-1-(5-fluoro-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 114728983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).