N-diphenylboranyl-N-methylmethanamine

C14H16BN — CID 5325045

IUPACN-diphenylboranyl-N-methylmethanamine
SMILESCN(C)B(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16BN/c1-16(2)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyRTGAZRGDPPWCJD-UHFFFAOYSA-N
MW209.10 g/mol
LogP1.35
Rot. Bonds3

About N-diphenylboranyl-N-methylmethanamine

N-diphenylboranyl-N-methylmethanamine (PubChem CID 5325045) has the molecular formula C14H16BN and a molecular weight of 209.10 g/mol. Its IUPAC name is N-diphenylboranyl-N-methylmethanamine.

Molecular Properties

Compound NameN-diphenylboranyl-N-methylmethanamine
PubChem CID5325045
Molecular FormulaC14H16BN
Molecular Weight209.10 g/mol
Exact Mass209.14
IUPAC NameN-diphenylboranyl-N-methylmethanamine
SMILESCN(C)B(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16BN/c1-16(2)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyRTGAZRGDPPWCJD-UHFFFAOYSA-N
XLogP1.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.10
LogP ≤ 51.35
H-Bond Donors ≤ 50
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-diphenylboranyl-N-methylmethanamine?
The IUPAC name of N-diphenylboranyl-N-methylmethanamine (CID 5325045) is N-diphenylboranyl-N-methylmethanamine.
What is the SMILES notation for N-diphenylboranyl-N-methylmethanamine?
The canonical SMILES for N-diphenylboranyl-N-methylmethanamine is CN(C)B(c1ccccc1)c1ccccc1.
What is the InChIKey of N-diphenylboranyl-N-methylmethanamine?
The InChIKey is RTGAZRGDPPWCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BN/c1-16(2)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3.
What are the key properties of N-diphenylboranyl-N-methylmethanamine?
N-diphenylboranyl-N-methylmethanamine has a molecular weight of 209.10 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylboranyl-N-methylmethanamine is sourced from PubChem (CID 5325045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).