1-diphenylboranyloxyethanamine

C14H16BNO — CID 18920458

IUPAC1-diphenylboranyloxyethanamine
SMILESCC(N)OB(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16BNO/c1-12(16)17-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,16H2,1H3
InChIKeyFSURBUQRNAGRLS-UHFFFAOYSA-N
MW225.10 g/mol
LogP1.11
Rot. Bonds4

About 1-diphenylboranyloxyethanamine

1-diphenylboranyloxyethanamine (PubChem CID 18920458) has the molecular formula C14H16BNO and a molecular weight of 225.10 g/mol. Its IUPAC name is 1-diphenylboranyloxyethanamine.

Molecular Properties

Compound Name1-diphenylboranyloxyethanamine
PubChem CID18920458
Molecular FormulaC14H16BNO
Molecular Weight225.10 g/mol
Exact Mass225.13
IUPAC Name1-diphenylboranyloxyethanamine
SMILESCC(N)OB(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16BNO/c1-12(16)17-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,16H2,1H3
InChIKeyFSURBUQRNAGRLS-UHFFFAOYSA-N
XLogP1.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.10
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-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 1-diphenylboranyloxyethanamine?
The IUPAC name of 1-diphenylboranyloxyethanamine (CID 18920458) is 1-diphenylboranyloxyethanamine.
What is the SMILES notation for 1-diphenylboranyloxyethanamine?
The canonical SMILES for 1-diphenylboranyloxyethanamine is CC(N)OB(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenylboranyloxyethanamine?
The InChIKey is FSURBUQRNAGRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BNO/c1-12(16)17-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,16H2,1H3.
What are the key properties of 1-diphenylboranyloxyethanamine?
1-diphenylboranyloxyethanamine has a molecular weight of 225.10 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylboranyloxyethanamine is sourced from PubChem (CID 18920458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).