[2-[ethenyl(pyridin-3-yl)boranyl]oxyphenyl]methanamine

C14H15BN2O — CID 24968437

IUPAC[2-[ethenyl(pyridin-3-yl)boranyl]oxyphenyl]methanamine
SMILESC=CB(Oc1ccccc1CN)c1cccnc1
InChIInChI=1S/C14H15BN2O/c1-2-15(13-7-5-9-17-11-13)18-14-8-4-3-6-12(14)10-16/h2-9,11H,1,10,16H2
InChIKeyJWFWHNOTWSWRET-UHFFFAOYSA-N
MW238.10 g/mol
LogP1.54
Rot. Bonds5

About [2-[ethenyl(pyridin-3-yl)boranyl]oxyphenyl]methanamine

[2-[ethenyl(pyridin-3-yl)boranyl]oxyphenyl]methanamine (PubChem CID 24968437) has the molecular formula C14H15BN2O and a molecular weight of 238.10 g/mol. Its IUPAC name is [2-[ethenyl(pyridin-3-yl)boranyl]oxyphenyl]methanamine.

Molecular Properties

Compound Name[2-[ethenyl(pyridin-3-yl)boranyl]oxyphenyl]methanamine
PubChem CID24968437
Molecular FormulaC14H15BN2O
Molecular Weight238.10 g/mol
Exact Mass238.13
IUPAC Name[2-[ethenyl(pyridin-3-yl)boranyl]oxyphenyl]methanamine
SMILESC=CB(Oc1ccccc1CN)c1cccnc1
InChIInChI=1S/C14H15BN2O/c1-2-15(13-7-5-9-17-11-13)18-14-8-4-3-6-12(14)10-16/h2-9,11H,1,10,16H2
InChIKeyJWFWHNOTWSWRET-UHFFFAOYSA-N
XLogP1.54
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.10
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[ethenyl(pyridin-3-yl)boranyl]oxyphenyl]methanamine?
The IUPAC name of [2-[ethenyl(pyridin-3-yl)boranyl]oxyphenyl]methanamine (CID 24968437) is [2-[ethenyl(pyridin-3-yl)boranyl]oxyphenyl]methanamine.
What is the SMILES notation for [2-[ethenyl(pyridin-3-yl)boranyl]oxyphenyl]methanamine?
The canonical SMILES for [2-[ethenyl(pyridin-3-yl)boranyl]oxyphenyl]methanamine is C=CB(Oc1ccccc1CN)c1cccnc1.
What is the InChIKey of [2-[ethenyl(pyridin-3-yl)boranyl]oxyphenyl]methanamine?
The InChIKey is JWFWHNOTWSWRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BN2O/c1-2-15(13-7-5-9-17-11-13)18-14-8-4-3-6-12(14)10-16/h2-9,11H,1,10,16H2.
What are the key properties of [2-[ethenyl(pyridin-3-yl)boranyl]oxyphenyl]methanamine?
[2-[ethenyl(pyridin-3-yl)boranyl]oxyphenyl]methanamine has a molecular weight of 238.10 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethenyl(pyridin-3-yl)boranyl]oxyphenyl]methanamine is sourced from PubChem (CID 24968437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).