N-[1-benzothiophen-7-yl(pyridin-2-yl)methyl]ethanamine

C16H16N2S — CID 81153684

IUPACN-[1-benzothiophen-7-yl(pyridin-2-yl)methyl]ethanamine
SMILESCCNC(c1ccccn1)c1cccc2ccsc12
InChIInChI=1S/C16H16N2S/c1-2-17-15(14-8-3-4-10-18-14)13-7-5-6-12-9-11-19-16(12)13/h3-11,15,17H,2H2,1H3
InChIKeyOWPRZIZWTJHBOB-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.00
Rot. Bonds4

About N-[1-benzothiophen-7-yl(pyridin-2-yl)methyl]ethanamine

N-[1-benzothiophen-7-yl(pyridin-2-yl)methyl]ethanamine (PubChem CID 81153684) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[1-benzothiophen-7-yl(pyridin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1-benzothiophen-7-yl(pyridin-2-yl)methyl]ethanamine
PubChem CID81153684
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC NameN-[1-benzothiophen-7-yl(pyridin-2-yl)methyl]ethanamine
SMILESCCNC(c1ccccn1)c1cccc2ccsc12
InChIInChI=1S/C16H16N2S/c1-2-17-15(14-8-3-4-10-18-14)13-7-5-6-12-9-11-19-16(12)13/h3-11,15,17H,2H2,1H3
InChIKeyOWPRZIZWTJHBOB-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-7-yl(pyridazin-4-yl)methyl]ethanamine
CID 105172732
N-[1-benzothiophen-7-yl-(2-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105172803
N-[pyridin-2-yl(quinolin-5-yl)methyl]ethanamine
CID 81220016
N-[1-benzothiophen-7-yl-(3,4-dimethylphenyl)methyl]ethanamine
CID 105021991
N-[1-benzothiophen-7-yl-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 105172840
N-[1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81153707
N-[1-benzothiophen-7-yl-(4,5-dibromothiophen-2-yl)methyl]ethanamine
CID 105022095
N-[1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105172877
N-[1-benzothiophen-7-yl-(4-bromo-3-fluorophenyl)methyl]ethanamine
CID 105022096
N-[1-benzothiophen-7-yl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine
CID 105022091
N-[(2,3-dimethylphenyl)-pyridin-2-ylmethyl]propan-1-amine
CID 62548702
N-[(5-methylthiophen-3-yl)-pyridin-2-ylmethyl]ethanamine
CID 65105127

Frequently Asked Questions

What is the IUPAC name of N-[1-benzothiophen-7-yl(pyridin-2-yl)methyl]ethanamine?
The IUPAC name of N-[1-benzothiophen-7-yl(pyridin-2-yl)methyl]ethanamine (CID 81153684) is N-[1-benzothiophen-7-yl(pyridin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[1-benzothiophen-7-yl(pyridin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[1-benzothiophen-7-yl(pyridin-2-yl)methyl]ethanamine is CCNC(c1ccccn1)c1cccc2ccsc12.
What is the InChIKey of N-[1-benzothiophen-7-yl(pyridin-2-yl)methyl]ethanamine?
The InChIKey is OWPRZIZWTJHBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-2-17-15(14-8-3-4-10-18-14)13-7-5-6-12-9-11-19-16(12)13/h3-11,15,17H,2H2,1H3.
What are the key properties of N-[1-benzothiophen-7-yl(pyridin-2-yl)methyl]ethanamine?
N-[1-benzothiophen-7-yl(pyridin-2-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-7-yl(pyridin-2-yl)methyl]ethanamine is sourced from PubChem (CID 81153684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).