2-(9H-pyrido[2,3-b]indol-7-yloxy)ethanamine

C13H13N3O — CID 67086167

IUPAC2-(9H-pyrido[2,3-b]indol-7-yloxy)ethanamine
SMILESNCCOc1ccc2c(c1)[nH]c1ncccc12
InChIInChI=1S/C13H13N3O/c14-5-7-17-9-3-4-10-11-2-1-6-15-13(11)16-12(10)8-9/h1-4,6,8H,5,7,14H2,(H,15,16)
InChIKeyIKDXRWUCPXWUAH-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.05
Rot. Bonds3

About 2-(9H-pyrido[2,3-b]indol-7-yloxy)ethanamine

2-(9H-pyrido[2,3-b]indol-7-yloxy)ethanamine (PubChem CID 67086167) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-(9H-pyrido[2,3-b]indol-7-yloxy)ethanamine.

Molecular Properties

Compound Name2-(9H-pyrido[2,3-b]indol-7-yloxy)ethanamine
PubChem CID67086167
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-(9H-pyrido[2,3-b]indol-7-yloxy)ethanamine
SMILESNCCOc1ccc2c(c1)[nH]c1ncccc12
InChIInChI=1S/C13H13N3O/c14-5-7-17-9-3-4-10-11-2-1-6-15-13(11)16-12(10)8-9/h1-4,6,8H,5,7,14H2,(H,15,16)
InChIKeyIKDXRWUCPXWUAH-UHFFFAOYSA-N
XLogP2.05
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(9H-pyrido[2,3-b]indol-7-yloxy)ethanamine?
The IUPAC name of 2-(9H-pyrido[2,3-b]indol-7-yloxy)ethanamine (CID 67086167) is 2-(9H-pyrido[2,3-b]indol-7-yloxy)ethanamine.
What is the SMILES notation for 2-(9H-pyrido[2,3-b]indol-7-yloxy)ethanamine?
The canonical SMILES for 2-(9H-pyrido[2,3-b]indol-7-yloxy)ethanamine is NCCOc1ccc2c(c1)[nH]c1ncccc12.
What is the InChIKey of 2-(9H-pyrido[2,3-b]indol-7-yloxy)ethanamine?
The InChIKey is IKDXRWUCPXWUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c14-5-7-17-9-3-4-10-11-2-1-6-15-13(11)16-12(10)8-9/h1-4,6,8H,5,7,14H2,(H,15,16).
What are the key properties of 2-(9H-pyrido[2,3-b]indol-7-yloxy)ethanamine?
2-(9H-pyrido[2,3-b]indol-7-yloxy)ethanamine has a molecular weight of 227.27 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-pyrido[2,3-b]indol-7-yloxy)ethanamine is sourced from PubChem (CID 67086167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).