N-diphenylboranylmethanamine

C13H14BN — CID 4233319

IUPACN-diphenylboranylmethanamine
SMILESCNB(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H14BN/c1-15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,15H,1H3
InChIKeyFXPHHMNBXQCYNN-UHFFFAOYSA-N
MW195.07 g/mol
LogP1.01
Rot. Bonds3

About N-diphenylboranylmethanamine

N-diphenylboranylmethanamine (PubChem CID 4233319) has the molecular formula C13H14BN and a molecular weight of 195.07 g/mol. Its IUPAC name is N-diphenylboranylmethanamine.

Molecular Properties

Compound NameN-diphenylboranylmethanamine
PubChem CID4233319
Molecular FormulaC13H14BN
Molecular Weight195.07 g/mol
Exact Mass195.12
IUPAC NameN-diphenylboranylmethanamine
SMILESCNB(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H14BN/c1-15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,15H,1H3
InChIKeyFXPHHMNBXQCYNN-UHFFFAOYSA-N
XLogP1.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.07
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-diphenylboranylmethanamine?
The IUPAC name of N-diphenylboranylmethanamine (CID 4233319) is N-diphenylboranylmethanamine.
What is the SMILES notation for N-diphenylboranylmethanamine?
The canonical SMILES for N-diphenylboranylmethanamine is CNB(c1ccccc1)c1ccccc1.
What is the InChIKey of N-diphenylboranylmethanamine?
The InChIKey is FXPHHMNBXQCYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BN/c1-15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,15H,1H3.
What are the key properties of N-diphenylboranylmethanamine?
N-diphenylboranylmethanamine has a molecular weight of 195.07 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylboranylmethanamine is sourced from PubChem (CID 4233319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).