N-[1-benzothiophen-3-yl(pyridin-4-yl)methyl]ethanamine

C16H16N2S — CID 43492304

IUPACN-[1-benzothiophen-3-yl(pyridin-4-yl)methyl]ethanamine
SMILESCCNC(c1ccncc1)c1csc2ccccc12
InChIInChI=1S/C16H16N2S/c1-2-18-16(12-7-9-17-10-8-12)14-11-19-15-6-4-3-5-13(14)15/h3-11,16,18H,2H2,1H3
InChIKeyHFUXZDWXSJHDRF-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.00
Rot. Bonds4

About N-[1-benzothiophen-3-yl(pyridin-4-yl)methyl]ethanamine

N-[1-benzothiophen-3-yl(pyridin-4-yl)methyl]ethanamine (PubChem CID 43492304) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[1-benzothiophen-3-yl(pyridin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1-benzothiophen-3-yl(pyridin-4-yl)methyl]ethanamine
PubChem CID43492304
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC NameN-[1-benzothiophen-3-yl(pyridin-4-yl)methyl]ethanamine
SMILESCCNC(c1ccncc1)c1csc2ccccc12
InChIInChI=1S/C16H16N2S/c1-2-18-16(12-7-9-17-10-8-12)14-11-19-15-6-4-3-5-13(14)15/h3-11,16,18H,2H2,1H3
InChIKeyHFUXZDWXSJHDRF-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-benzothiophen-3-yl-(4-bromophenyl)methyl]ethanamine
CID 43492345
1-(1-benzothiophen-3-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 66446000
N-[1-benzothiophen-3-yl-(5-iodothiophen-3-yl)methyl]ethanamine
CID 79693289
N-[1-benzothiophen-3-yl-(2,6-dichlorophenyl)methyl]ethanamine
CID 43492363
N-[1-benzothiophen-3-yl-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 55108354
N-[1-benzothiophen-3-yl-(2-chloro-5-fluorophenyl)methyl]ethanamine
CID 105396957
N-[1-benzothiophen-3-yl-(4-fluorophenyl)methyl]propan-1-amine
CID 43497207
N-[1-benzothiophen-3-yl-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043811
N-[1-benzothiophen-3-yl-(2-bromofuran-3-yl)methyl]ethanamine
CID 106851643
N-[1-benzothiophen-3-yl-(2,4-dibromophenyl)methyl]ethanamine
CID 107950423
1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine
CID 43492291
N-[1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 102648959

Frequently Asked Questions

What is the IUPAC name of N-[1-benzothiophen-3-yl(pyridin-4-yl)methyl]ethanamine?
The IUPAC name of N-[1-benzothiophen-3-yl(pyridin-4-yl)methyl]ethanamine (CID 43492304) is N-[1-benzothiophen-3-yl(pyridin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[1-benzothiophen-3-yl(pyridin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[1-benzothiophen-3-yl(pyridin-4-yl)methyl]ethanamine is CCNC(c1ccncc1)c1csc2ccccc12.
What is the InChIKey of N-[1-benzothiophen-3-yl(pyridin-4-yl)methyl]ethanamine?
The InChIKey is HFUXZDWXSJHDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-2-18-16(12-7-9-17-10-8-12)14-11-19-15-6-4-3-5-13(14)15/h3-11,16,18H,2H2,1H3.
What are the key properties of N-[1-benzothiophen-3-yl(pyridin-4-yl)methyl]ethanamine?
N-[1-benzothiophen-3-yl(pyridin-4-yl)methyl]ethanamine has a molecular weight of 268.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzothiophen-3-yl(pyridin-4-yl)methyl]ethanamine is sourced from PubChem (CID 43492304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).