N-[[5-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-pyridinyl]methyl]ethanamine

C17H20N2OS — CID 79782487

IUPACN-[[5-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(OCC2Cc3ccccc3S2)cn1
InChIInChI=1S/C17H20N2OS/c1-2-18-10-14-7-8-15(11-19-14)20-12-16-9-13-5-3-4-6-17(13)21-16/h3-8,11,16,18H,2,9-10,12H2,1H3
InChIKeyPRUVJCURNDBOEZ-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.29
Rot. Bonds6

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

N-[[5-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-pyridinyl]methyl]ethanamine (PubChem CID 79782487) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[[5-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-pyridinyl]methyl]ethanamine
PubChem CID79782487
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-[[5-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(OCC2Cc3ccccc3S2)cn1
InChIInChI=1S/C17H20N2OS/c1-2-18-10-14-7-8-15(11-19-14)20-12-16-9-13-5-3-4-6-17(13)21-16/h3-8,11,16,18H,2,9-10,12H2,1H3
InChIKeyPRUVJCURNDBOEZ-UHFFFAOYSA-N
XLogP3.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

2-bromo-5-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)pyridine
CID 107396746
4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenol
CID 79221844
1-[4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]propan-1-one
CID 79227434
N-[(5-ethoxy-2-pyridinyl)methyl]ethanamine
CID 79775704
N-[[5-(2-phenoxyethoxy)-2-pyridinyl]methyl]ethanamine
CID 79775994
[3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]methanamine
CID 79212641
1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 79211924
1-[4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-fluorophenyl]ethanol
CID 107719822
N-[[5-(2-fluoroethoxy)-2-pyridinyl]methyl]ethanamine
CID 80700229
4-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]butan-1-ol
CID 79776524
(1R)-1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]ethanol
CID 79222447
2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 79776683

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-pyridinyl]methyl]ethanamine (CID 79782487) is N-[[5-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-pyridinyl]methyl]ethanamine is CCNCc1ccc(OCC2Cc3ccccc3S2)cn1.
What is the InChIKey of N-[[5-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-pyridinyl]methyl]ethanamine?
The InChIKey is PRUVJCURNDBOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-2-18-10-14-7-8-15(11-19-14)20-12-16-9-13-5-3-4-6-17(13)21-16/h3-8,11,16,18H,2,9-10,12H2,1H3.
What are the key properties of N-[[5-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-pyridinyl]methyl]ethanamine?
N-[[5-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-pyridinyl]methyl]ethanamine has a molecular weight of 300.43 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 79782487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).