1-(1-benzofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine

C15H21NOS — CID 64632858

IUPAC1-(1-benzofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
SMILESCCNC(CSC(C)C)c1cc2ccccc2o1
InChIInChI=1S/C15H21NOS/c1-4-16-13(10-18-11(2)3)15-9-12-7-5-6-8-14(12)17-15/h5-9,11,13,16H,4,10H2,1-3H3
InChIKeyDTNOLGPBHCWTKR-UHFFFAOYSA-N
MW263.41 g/mol
LogP4.22
Rot. Bonds6

About 1-(1-benzofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine

1-(1-benzofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine (PubChem CID 64632858) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
PubChem CID64632858
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name1-(1-benzofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
SMILESCCNC(CSC(C)C)c1cc2ccccc2o1
InChIInChI=1S/C15H21NOS/c1-4-16-13(10-18-11(2)3)15-9-12-7-5-6-8-14(12)17-15/h5-9,11,13,16H,4,10H2,1-3H3
InChIKeyDTNOLGPBHCWTKR-UHFFFAOYSA-N
XLogP4.22
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine
CID 63418453
1-(1-benzofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 114728644
1-(1-benzofuran-2-yl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106927426
1-(1-benzofuran-2-yl)-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine
CID 64627448
1-(1-benzofuran-2-yl)-N-ethyl-2-pyrazin-2-ylsulfanylethanamine
CID 64628226
1-(1-benzofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 61064901
1-(1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine
CID 113230976
1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine
CID 64615500
1-(1-benzofuran-2-yl)-2-(3,4-dimethylpyrrolidin-1-yl)-N-ethylethanamine
CID 79177613
1-(1-benzofuran-2-yl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 105044052
1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methylsulfanylethanamine
CID 114728420
2-tert-butylsulfanyl-N-ethyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
CID 114728947

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine (CID 64632858) is 1-(1-benzofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine is CCNC(CSC(C)C)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine?
The InChIKey is DTNOLGPBHCWTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-4-16-13(10-18-11(2)3)15-9-12-7-5-6-8-14(12)17-15/h5-9,11,13,16H,4,10H2,1-3H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine?
1-(1-benzofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine has a molecular weight of 263.41 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine is sourced from PubChem (CID 64632858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).