2-[phenyl(phosphanyl)boranyl]oxyethanamine

C8H13BNOP — CID 140793311

IUPAC2-[phenyl(phosphanyl)boranyl]oxyethanamine
SMILESNCCOB(P)c1ccccc1
InChIInChI=1S/C8H13BNOP/c10-6-7-11-9(12)8-4-2-1-3-5-8/h1-5H,6-7,10,12H2
InChIKeySHMKBAVRWYQPHX-UHFFFAOYSA-N
MW180.98 g/mol
LogP0.23
Rot. Bonds4

About 2-[phenyl(phosphanyl)boranyl]oxyethanamine

2-[phenyl(phosphanyl)boranyl]oxyethanamine (PubChem CID 140793311) has the molecular formula C8H13BNOP and a molecular weight of 180.98 g/mol. Its IUPAC name is 2-[phenyl(phosphanyl)boranyl]oxyethanamine.

Molecular Properties

Compound Name2-[phenyl(phosphanyl)boranyl]oxyethanamine
PubChem CID140793311
Molecular FormulaC8H13BNOP
Molecular Weight180.98 g/mol
Exact Mass181.08
IUPAC Name2-[phenyl(phosphanyl)boranyl]oxyethanamine
SMILESNCCOB(P)c1ccccc1
InChIInChI=1S/C8H13BNOP/c10-6-7-11-9(12)8-4-2-1-3-5-8/h1-5H,6-7,10,12H2
InChIKeySHMKBAVRWYQPHX-UHFFFAOYSA-N
XLogP0.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.98
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[phenyl(phosphanyl)boranyl]oxyethanamine?
The IUPAC name of 2-[phenyl(phosphanyl)boranyl]oxyethanamine (CID 140793311) is 2-[phenyl(phosphanyl)boranyl]oxyethanamine.
What is the SMILES notation for 2-[phenyl(phosphanyl)boranyl]oxyethanamine?
The canonical SMILES for 2-[phenyl(phosphanyl)boranyl]oxyethanamine is NCCOB(P)c1ccccc1.
What is the InChIKey of 2-[phenyl(phosphanyl)boranyl]oxyethanamine?
The InChIKey is SHMKBAVRWYQPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BNOP/c10-6-7-11-9(12)8-4-2-1-3-5-8/h1-5H,6-7,10,12H2.
What are the key properties of 2-[phenyl(phosphanyl)boranyl]oxyethanamine?
2-[phenyl(phosphanyl)boranyl]oxyethanamine has a molecular weight of 180.98 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[phenyl(phosphanyl)boranyl]oxyethanamine is sourced from PubChem (CID 140793311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).