N-[2,3-dihydro-1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methyl]ethanamine

C15H19NOS — CID 102652995

IUPACN-[2,3-dihydro-1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methyl]ethanamine
SMILESCCNC(C1=CCCO1)C1Cc2ccccc2S1
InChIInChI=1S/C15H19NOS/c1-2-16-15(12-7-5-9-17-12)14-10-11-6-3-4-8-13(11)18-14/h3-4,6-8,14-16H,2,5,9-10H2,1H3
InChIKeyXIQPSVFMIZYRMO-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.99
Rot. Bonds4

About N-[2,3-dihydro-1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methyl]ethanamine

N-[2,3-dihydro-1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methyl]ethanamine (PubChem CID 102652995) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methyl]ethanamine
PubChem CID102652995
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC NameN-[2,3-dihydro-1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methyl]ethanamine
SMILESCCNC(C1=CCCO1)C1Cc2ccccc2S1
InChIInChI=1S/C15H19NOS/c1-2-16-15(12-7-5-9-17-12)14-10-11-6-3-4-8-13(11)18-14/h3-4,6-8,14-16H,2,5,9-10H2,1H3
InChIKeyXIQPSVFMIZYRMO-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylphenyl)methyl]ethanamine
CID 105094696
N-[2,3-dihydro-1-benzothiophen-2-yl-(4-fluorophenyl)methyl]ethanamine
CID 105088110
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethylpropan-1-amine
CID 105078795
N-[(3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]ethanamine
CID 107361920
N-[2,3-dihydro-1-benzothiophen-2-yl-(3,4-dimethylphenyl)methyl]ethanamine
CID 105140323
N-[2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methyl]ethanamine
CID 105098407
N-[2,3-dihydro-1,4-benzoxathiin-2-yl(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 106601619
N-[2,3-dihydro-1-benzothiophen-2-yl-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 105170008
1-(2,3-dihydro-1-benzothiophen-2-yl)-N,2-diethylbutan-1-amine
CID 105168564
N-[(3-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]ethanamine
CID 106647961
N-[2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-3-pyridinyl)methyl]ethanamine
CID 105102365
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-ethoxy-N-ethylethanamine
CID 105165121

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methyl]ethanamine?
The IUPAC name of N-[2,3-dihydro-1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methyl]ethanamine (CID 102652995) is N-[2,3-dihydro-1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[2,3-dihydro-1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methyl]ethanamine?
The canonical SMILES for N-[2,3-dihydro-1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methyl]ethanamine is CCNC(C1=CCCO1)C1Cc2ccccc2S1.
What is the InChIKey of N-[2,3-dihydro-1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methyl]ethanamine?
The InChIKey is XIQPSVFMIZYRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-2-16-15(12-7-5-9-17-12)14-10-11-6-3-4-8-13(11)18-14/h3-4,6-8,14-16H,2,5,9-10H2,1H3.
What are the key properties of N-[2,3-dihydro-1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methyl]ethanamine?
N-[2,3-dihydro-1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methyl]ethanamine has a molecular weight of 261.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methyl]ethanamine is sourced from PubChem (CID 102652995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).