(R)-(4-phenylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine

C19H24BNO2 — CID 171191111

IUPAC(R)-(4-phenylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine
SMILESCC1(C)OB([C@@H](N)c2ccc(-c3ccccc3)cc2)OC1(C)C
InChIInChI=1S/C19H24BNO2/c1-18(2)19(3,4)23-20(22-18)17(21)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h5-13,17H,21H2,1-4H3/t17-/m0/s1
InChIKeyQYPBSXZXBRTPLQ-KRWDZBQOSA-N
MW309.22 g/mol
LogP3.98
Rot. Bonds3

About (R)-(4-phenylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine

(R)-(4-phenylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine (PubChem CID 171191111) has the molecular formula C19H24BNO2 and a molecular weight of 309.22 g/mol. Its IUPAC name is (R)-(4-phenylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine.

Molecular Properties

Compound Name(R)-(4-phenylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine
PubChem CID171191111
Molecular FormulaC19H24BNO2
Molecular Weight309.22 g/mol
Exact Mass309.19
IUPAC Name(R)-(4-phenylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine
SMILESCC1(C)OB([C@@H](N)c2ccc(-c3ccccc3)cc2)OC1(C)C
InChIInChI=1S/C19H24BNO2/c1-18(2)19(3,4)23-20(22-18)17(21)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h5-13,17H,21H2,1-4H3/t17-/m0/s1
InChIKeyQYPBSXZXBRTPLQ-KRWDZBQOSA-N
XLogP3.98
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (R)-(4-phenylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine?
The IUPAC name of (R)-(4-phenylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine (CID 171191111) is (R)-(4-phenylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine.
What is the SMILES notation for (R)-(4-phenylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine?
The canonical SMILES for (R)-(4-phenylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine is CC1(C)OB([C@@H](N)c2ccc(-c3ccccc3)cc2)OC1(C)C.
What is the InChIKey of (R)-(4-phenylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine?
The InChIKey is QYPBSXZXBRTPLQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24BNO2/c1-18(2)19(3,4)23-20(22-18)17(21)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h5-13,17H,21H2,1-4H3/t17-/m0/s1.
What are the key properties of (R)-(4-phenylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine?
(R)-(4-phenylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine has a molecular weight of 309.22 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-phenylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine is sourced from PubChem (CID 171191111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).