N-methyl-N-[phenoxy(phenyl)boranyl]oxymethanamine

C14H16BNO2 — CID 156756933

IUPACN-methyl-N-[phenoxy(phenyl)boranyl]oxymethanamine
SMILESCN(C)OB(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C14H16BNO2/c1-16(2)18-15(13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyNXSYLUBIBZFADF-UHFFFAOYSA-N
MW241.10 g/mol
LogP1.95
Rot. Bonds5

About N-methyl-N-[phenoxy(phenyl)boranyl]oxymethanamine

N-methyl-N-[phenoxy(phenyl)boranyl]oxymethanamine (PubChem CID 156756933) has the molecular formula C14H16BNO2 and a molecular weight of 241.10 g/mol. Its IUPAC name is N-methyl-N-[phenoxy(phenyl)boranyl]oxymethanamine.

Molecular Properties

Compound NameN-methyl-N-[phenoxy(phenyl)boranyl]oxymethanamine
PubChem CID156756933
Molecular FormulaC14H16BNO2
Molecular Weight241.10 g/mol
Exact Mass241.13
IUPAC NameN-methyl-N-[phenoxy(phenyl)boranyl]oxymethanamine
SMILESCN(C)OB(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C14H16BNO2/c1-16(2)18-15(13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyNXSYLUBIBZFADF-UHFFFAOYSA-N
XLogP1.95
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.10
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[phenoxy(phenyl)boranyl]oxymethanamine?
The IUPAC name of N-methyl-N-[phenoxy(phenyl)boranyl]oxymethanamine (CID 156756933) is N-methyl-N-[phenoxy(phenyl)boranyl]oxymethanamine.
What is the SMILES notation for N-methyl-N-[phenoxy(phenyl)boranyl]oxymethanamine?
The canonical SMILES for N-methyl-N-[phenoxy(phenyl)boranyl]oxymethanamine is CN(C)OB(Oc1ccccc1)c1ccccc1.
What is the InChIKey of N-methyl-N-[phenoxy(phenyl)boranyl]oxymethanamine?
The InChIKey is NXSYLUBIBZFADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BNO2/c1-16(2)18-15(13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h3-12H,1-2H3.
What are the key properties of N-methyl-N-[phenoxy(phenyl)boranyl]oxymethanamine?
N-methyl-N-[phenoxy(phenyl)boranyl]oxymethanamine has a molecular weight of 241.10 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[phenoxy(phenyl)boranyl]oxymethanamine is sourced from PubChem (CID 156756933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).