[5-(6-phenoxy-3-pyridinyl)-1H-indol-2-yl]methanamine

C20H17N3O — CID 134330560

IUPAC[5-(6-phenoxy-3-pyridinyl)-1H-indol-2-yl]methanamine
SMILESNCc1cc2cc(-c3ccc(Oc4ccccc4)nc3)ccc2[nH]1
InChIInChI=1S/C20H17N3O/c21-12-17-11-16-10-14(6-8-19(16)23-17)15-7-9-20(22-13-15)24-18-4-2-1-3-5-18/h1-11,13,23H,12,21H2
InChIKeyREBWFSBRJUBOKG-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.48
Rot. Bonds4

About [5-(6-phenoxy-3-pyridinyl)-1H-indol-2-yl]methanamine

[5-(6-phenoxy-3-pyridinyl)-1H-indol-2-yl]methanamine (PubChem CID 134330560) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is [5-(6-phenoxy-3-pyridinyl)-1H-indol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(6-phenoxy-3-pyridinyl)-1H-indol-2-yl]methanamine
PubChem CID134330560
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name[5-(6-phenoxy-3-pyridinyl)-1H-indol-2-yl]methanamine
SMILESNCc1cc2cc(-c3ccc(Oc4ccccc4)nc3)ccc2[nH]1
InChIInChI=1S/C20H17N3O/c21-12-17-11-16-10-14(6-8-19(16)23-17)15-7-9-20(22-13-15)24-18-4-2-1-3-5-18/h1-11,13,23H,12,21H2
InChIKeyREBWFSBRJUBOKG-UHFFFAOYSA-N
XLogP4.48
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(6-phenoxy-3-pyridinyl)-1H-indol-2-yl]methanamine?
The IUPAC name of [5-(6-phenoxy-3-pyridinyl)-1H-indol-2-yl]methanamine (CID 134330560) is [5-(6-phenoxy-3-pyridinyl)-1H-indol-2-yl]methanamine.
What is the SMILES notation for [5-(6-phenoxy-3-pyridinyl)-1H-indol-2-yl]methanamine?
The canonical SMILES for [5-(6-phenoxy-3-pyridinyl)-1H-indol-2-yl]methanamine is NCc1cc2cc(-c3ccc(Oc4ccccc4)nc3)ccc2[nH]1.
What is the InChIKey of [5-(6-phenoxy-3-pyridinyl)-1H-indol-2-yl]methanamine?
The InChIKey is REBWFSBRJUBOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c21-12-17-11-16-10-14(6-8-19(16)23-17)15-7-9-20(22-13-15)24-18-4-2-1-3-5-18/h1-11,13,23H,12,21H2.
What are the key properties of [5-(6-phenoxy-3-pyridinyl)-1H-indol-2-yl]methanamine?
[5-(6-phenoxy-3-pyridinyl)-1H-indol-2-yl]methanamine has a molecular weight of 315.38 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-phenoxy-3-pyridinyl)-1H-indol-2-yl]methanamine is sourced from PubChem (CID 134330560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).