N-(2-phenylethyl)-[1]benzofuro[2,3-b]pyridin-4-amine

C19H16N2O — CID 52944812

IUPACN-(2-phenylethyl)-[1]benzofuro[2,3-b]pyridin-4-amine
SMILESc1ccc(CCNc2ccnc3oc4ccccc4c23)cc1
InChIInChI=1S/C19H16N2O/c1-2-6-14(7-3-1)10-12-20-16-11-13-21-19-18(16)15-8-4-5-9-17(15)22-19/h1-9,11,13H,10,12H2,(H,20,21)
InChIKeyYJPUSOPMLUPRJT-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.64
Rot. Bonds4

About N-(2-phenylethyl)-[1]benzofuro[2,3-b]pyridin-4-amine

N-(2-phenylethyl)-[1]benzofuro[2,3-b]pyridin-4-amine (PubChem CID 52944812) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(2-phenylethyl)-[1]benzofuro[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-[1]benzofuro[2,3-b]pyridin-4-amine
PubChem CID52944812
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC NameN-(2-phenylethyl)-[1]benzofuro[2,3-b]pyridin-4-amine
SMILESc1ccc(CCNc2ccnc3oc4ccccc4c23)cc1
InChIInChI=1S/C19H16N2O/c1-2-6-14(7-3-1)10-12-20-16-11-13-21-19-18(16)15-8-4-5-9-17(15)22-19/h1-9,11,13H,10,12H2,(H,20,21)
InChIKeyYJPUSOPMLUPRJT-UHFFFAOYSA-N
XLogP4.64
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-[1]benzofuro[2,3-b]pyridin-4-amine?
The IUPAC name of N-(2-phenylethyl)-[1]benzofuro[2,3-b]pyridin-4-amine (CID 52944812) is N-(2-phenylethyl)-[1]benzofuro[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-(2-phenylethyl)-[1]benzofuro[2,3-b]pyridin-4-amine?
The canonical SMILES for N-(2-phenylethyl)-[1]benzofuro[2,3-b]pyridin-4-amine is c1ccc(CCNc2ccnc3oc4ccccc4c23)cc1.
What is the InChIKey of N-(2-phenylethyl)-[1]benzofuro[2,3-b]pyridin-4-amine?
The InChIKey is YJPUSOPMLUPRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-2-6-14(7-3-1)10-12-20-16-11-13-21-19-18(16)15-8-4-5-9-17(15)22-19/h1-9,11,13H,10,12H2,(H,20,21).
What are the key properties of N-(2-phenylethyl)-[1]benzofuro[2,3-b]pyridin-4-amine?
N-(2-phenylethyl)-[1]benzofuro[2,3-b]pyridin-4-amine has a molecular weight of 288.35 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-[1]benzofuro[2,3-b]pyridin-4-amine is sourced from PubChem (CID 52944812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).