N-diphenylboranyloxyethanamine

C14H16BNO — CID 87772226

IUPACN-diphenylboranyloxyethanamine
SMILESCCNOB(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16BNO/c1-2-16-17-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,16H,2H2,1H3
InChIKeyVWPVYPMONUVJGC-UHFFFAOYSA-N
MW225.10 g/mol
LogP1.33
Rot. Bonds5

About N-diphenylboranyloxyethanamine

N-diphenylboranyloxyethanamine (PubChem CID 87772226) has the molecular formula C14H16BNO and a molecular weight of 225.10 g/mol. Its IUPAC name is N-diphenylboranyloxyethanamine.

Molecular Properties

Compound NameN-diphenylboranyloxyethanamine
PubChem CID87772226
Molecular FormulaC14H16BNO
Molecular Weight225.10 g/mol
Exact Mass225.13
IUPAC NameN-diphenylboranyloxyethanamine
SMILESCCNOB(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16BNO/c1-2-16-17-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,16H,2H2,1H3
InChIKeyVWPVYPMONUVJGC-UHFFFAOYSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.10
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-diphenylboranyloxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-diphenylboranyloxyethanamine?
The IUPAC name of N-diphenylboranyloxyethanamine (CID 87772226) is N-diphenylboranyloxyethanamine.
What is the SMILES notation for N-diphenylboranyloxyethanamine?
The canonical SMILES for N-diphenylboranyloxyethanamine is CCNOB(c1ccccc1)c1ccccc1.
What is the InChIKey of N-diphenylboranyloxyethanamine?
The InChIKey is VWPVYPMONUVJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BNO/c1-2-16-17-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,16H,2H2,1H3.
What are the key properties of N-diphenylboranyloxyethanamine?
N-diphenylboranyloxyethanamine has a molecular weight of 225.10 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylboranyloxyethanamine is sourced from PubChem (CID 87772226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).