(2R,5R)-N,N-diethyl-2,5-diphenyl-2,5-dihydroborol-1-amine

C20H24BN — CID 135082418

IUPAC(2R,5R)-N,N-diethyl-2,5-diphenyl-2,5-dihydroborol-1-amine
SMILESCCN(CC)B1[C@@H](c2ccccc2)C=C[C@@H]1c1ccccc1
InChIInChI=1S/C20H24BN/c1-3-22(4-2)21-19(17-11-7-5-8-12-17)15-16-20(21)18-13-9-6-10-14-18/h5-16,19-20H,3-4H2,1-2H3/t19-,20-/m1/s1
InChIKeyWSWQKMGADQLDNA-WOJBJXKFSA-N
MW289.23 g/mol
LogP4.54
Rot. Bonds5

About (2R,5R)-N,N-diethyl-2,5-diphenyl-2,5-dihydroborol-1-amine

(2R,5R)-N,N-diethyl-2,5-diphenyl-2,5-dihydroborol-1-amine (PubChem CID 135082418) has the molecular formula C20H24BN and a molecular weight of 289.23 g/mol. Its IUPAC name is (2R,5R)-N,N-diethyl-2,5-diphenyl-2,5-dihydroborol-1-amine.

Molecular Properties

Compound Name(2R,5R)-N,N-diethyl-2,5-diphenyl-2,5-dihydroborol-1-amine
PubChem CID135082418
Molecular FormulaC20H24BN
Molecular Weight289.23 g/mol
Exact Mass289.20
IUPAC Name(2R,5R)-N,N-diethyl-2,5-diphenyl-2,5-dihydroborol-1-amine
SMILESCCN(CC)B1[C@@H](c2ccccc2)C=C[C@@H]1c1ccccc1
InChIInChI=1S/C20H24BN/c1-3-22(4-2)21-19(17-11-7-5-8-12-17)15-16-20(21)18-13-9-6-10-14-18/h5-16,19-20H,3-4H2,1-2H3/t19-,20-/m1/s1
InChIKeyWSWQKMGADQLDNA-WOJBJXKFSA-N
XLogP4.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.23
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R,5S)-N,N-diethyl-1-oxo-2,5-diphenyl-2,5-dihydro-1λ5-phosphol-1-amine
CID 25001004
(2S,5R)-N,N-diethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine
CID 102200223
(4-phenylcyclohexa-2,5-dien-1-yl)benzene
CID 5248482
N,N-diethylaniline
CID 7061
(3S,4S)-3-ethyl-4-phenylazetidin-2-one
CID 7056749
N-ethyl-N-[methyl(diphenyl)silyl]ethanamine
CID 13314563
butyl(phenyl)iodanium
CID 87304112
(2R,5R)-1-chloro-1-ethyl-2,5-diphenylsilolane
CID 101044385
N,N-dimethylethanamine;toluene
CID 19833465
diphenyliodanium;ethane;methane
CID 159636739
N,N-diethyl-9H-fluoren-9-amine
CID 11481796
(2S,3R)-2-ethyl-3-phenylthiirane
CID 134927560

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-N,N-diethyl-2,5-diphenyl-2,5-dihydroborol-1-amine?
The IUPAC name of (2R,5R)-N,N-diethyl-2,5-diphenyl-2,5-dihydroborol-1-amine (CID 135082418) is (2R,5R)-N,N-diethyl-2,5-diphenyl-2,5-dihydroborol-1-amine.
What is the SMILES notation for (2R,5R)-N,N-diethyl-2,5-diphenyl-2,5-dihydroborol-1-amine?
The canonical SMILES for (2R,5R)-N,N-diethyl-2,5-diphenyl-2,5-dihydroborol-1-amine is CCN(CC)B1[C@@H](c2ccccc2)C=C[C@@H]1c1ccccc1.
What is the InChIKey of (2R,5R)-N,N-diethyl-2,5-diphenyl-2,5-dihydroborol-1-amine?
The InChIKey is WSWQKMGADQLDNA-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H24BN/c1-3-22(4-2)21-19(17-11-7-5-8-12-17)15-16-20(21)18-13-9-6-10-14-18/h5-16,19-20H,3-4H2,1-2H3/t19-,20-/m1/s1.
What are the key properties of (2R,5R)-N,N-diethyl-2,5-diphenyl-2,5-dihydroborol-1-amine?
(2R,5R)-N,N-diethyl-2,5-diphenyl-2,5-dihydroborol-1-amine has a molecular weight of 289.23 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-N,N-diethyl-2,5-diphenyl-2,5-dihydroborol-1-amine is sourced from PubChem (CID 135082418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).