3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyridin-4-amine

C14H14N2S — CID 79226456

IUPAC3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyridin-4-amine
SMILESNc1ccncc1CC1CSc2ccccc21
InChIInChI=1S/C14H14N2S/c15-13-5-6-16-8-10(13)7-11-9-17-14-4-2-1-3-12(11)14/h1-6,8,11H,7,9H2,(H2,15,16)
InChIKeyLXRJAFNXOOXIDF-UHFFFAOYSA-N
MW242.35 g/mol
LogP3.10
Rot. Bonds2

About 3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyridin-4-amine

3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyridin-4-amine (PubChem CID 79226456) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyridin-4-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyridin-4-amine
PubChem CID79226456
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyridin-4-amine
SMILESNc1ccncc1CC1CSc2ccccc21
InChIInChI=1S/C14H14N2S/c15-13-5-6-16-8-10(13)7-11-9-17-14-4-2-1-3-12(11)14/h1-6,8,11H,7,9H2,(H2,15,16)
InChIKeyLXRJAFNXOOXIDF-UHFFFAOYSA-N
XLogP3.10
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyridin-4-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyridin-4-amine (CID 79226456) is 3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyridin-4-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyridin-4-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyridin-4-amine is Nc1ccncc1CC1CSc2ccccc21.
What is the InChIKey of 3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyridin-4-amine?
The InChIKey is LXRJAFNXOOXIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c15-13-5-6-16-8-10(13)7-11-9-17-14-4-2-1-3-12(11)14/h1-6,8,11H,7,9H2,(H2,15,16).
What are the key properties of 3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyridin-4-amine?
3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyridin-4-amine has a molecular weight of 242.35 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyridin-4-amine is sourced from PubChem (CID 79226456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).