alpha,alpha-Diphenyl-2-pyrrolidinemethanol borane

C17H19BNO — CID 19782534

IUPAC—
SMILESOC(c1ccccc1)(c1ccccc1)C1CCCN1.[B]
InChIInChI=1S/C17H19NO.B/c19-17(16-12-7-13-18-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15;/h1-6,8-11,16,18-19H,7,12-13H2;
InChIKeyZOYBWQYADSMRHP-UHFFFAOYSA-N
MW264.16 g/mol
LogP2.29
Rot. Bonds3

About alpha,alpha-Diphenyl-2-pyrrolidinemethanol borane

alpha,alpha-Diphenyl-2-pyrrolidinemethanol borane (PubChem CID 19782534) has the molecular formula C17H19BNO and a molecular weight of 264.16 g/mol.

Molecular Properties

Compound Namealpha,alpha-Diphenyl-2-pyrrolidinemethanol borane
PubChem CID19782534
Molecular FormulaC17H19BNO
Molecular Weight264.16 g/mol
Exact Mass264.16
IUPAC Name—
SMILESOC(c1ccccc1)(c1ccccc1)C1CCCN1.[B]
InChIInChI=1S/C17H19NO.B/c19-17(16-12-7-13-18-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15;/h1-6,8-11,16,18-19H,7,12-13H2;
InChIKeyZOYBWQYADSMRHP-UHFFFAOYSA-N
XLogP2.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diphenyl-[(2S)-pyrrolidin-2-yl]methanol;trimethyl(trimethylsilyloxy)silane
CID 138393439
(4-chlorophenyl)-phenyl-piperidin-2-ylmethanol
CID 3064310
bis(3,5-diphenylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 59628921
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 13068815
bis(4-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 6544419
bis(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 14813972
dinaphthalen-2-yl-[(2S)-pyrrolidin-2-yl]methanol
CID 2733810
1-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol
CID 155010547
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol
CID 138485227
cyclohexyl-phenyl-pyrrolidin-2-ylmethanol
CID 166041148
cyclohexyl-phenyl-piperidin-2-ylmethanol
CID 23856895
diphenyl(pyrazolidin-3-yl)methanol
CID 78349826

Frequently Asked Questions

What is the IUPAC name of alpha,alpha-Diphenyl-2-pyrrolidinemethanol borane?
The IUPAC name of alpha,alpha-Diphenyl-2-pyrrolidinemethanol borane (CID 19782534) is not available.
What is the SMILES notation for alpha,alpha-Diphenyl-2-pyrrolidinemethanol borane?
The canonical SMILES for alpha,alpha-Diphenyl-2-pyrrolidinemethanol borane is OC(c1ccccc1)(c1ccccc1)C1CCCN1.[B].
What is the InChIKey of alpha,alpha-Diphenyl-2-pyrrolidinemethanol borane?
The InChIKey is ZOYBWQYADSMRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO.B/c19-17(16-12-7-13-18-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15;/h1-6,8-11,16,18-19H,7,12-13H2;.
What are the key properties of alpha,alpha-Diphenyl-2-pyrrolidinemethanol borane?
alpha,alpha-Diphenyl-2-pyrrolidinemethanol borane has a molecular weight of 264.16 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alpha,alpha-Diphenyl-2-pyrrolidinemethanol borane is sourced from PubChem (CID 19782534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).