(2S)-1-(1,3,2-dioxaborolan-2-yloxy)-3-methyl-1,1-diphenylbutan-2-amine

C19H24BNO3 — CID 25051993

IUPAC(2S)-1-(1,3,2-dioxaborolan-2-yloxy)-3-methyl-1,1-diphenylbutan-2-amine
SMILESCC(C)[C@H](N)C(OB1OCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24BNO3/c1-15(2)18(21)19(16-9-5-3-6-10-16,17-11-7-4-8-12-17)24-20-22-13-14-23-20/h3-12,15,18H,13-14,21H2,1-2H3/t18-/m0/s1
InChIKeyYJZIPVDPYPQAMN-SFHVURJKSA-N
MW325.22 g/mol
LogP2.96
Rot. Bonds6

About (2S)-1-(1,3,2-dioxaborolan-2-yloxy)-3-methyl-1,1-diphenylbutan-2-amine

(2S)-1-(1,3,2-dioxaborolan-2-yloxy)-3-methyl-1,1-diphenylbutan-2-amine (PubChem CID 25051993) has the molecular formula C19H24BNO3 and a molecular weight of 325.22 g/mol. Its IUPAC name is (2S)-1-(1,3,2-dioxaborolan-2-yloxy)-3-methyl-1,1-diphenylbutan-2-amine.

Molecular Properties

Compound Name(2S)-1-(1,3,2-dioxaborolan-2-yloxy)-3-methyl-1,1-diphenylbutan-2-amine
PubChem CID25051993
Molecular FormulaC19H24BNO3
Molecular Weight325.22 g/mol
Exact Mass325.18
IUPAC Name(2S)-1-(1,3,2-dioxaborolan-2-yloxy)-3-methyl-1,1-diphenylbutan-2-amine
SMILESCC(C)[C@H](N)C(OB1OCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24BNO3/c1-15(2)18(21)19(16-9-5-3-6-10-16,17-11-7-4-8-12-17)24-20-22-13-14-23-20/h3-12,15,18H,13-14,21H2,1-2H3/t18-/m0/s1
InChIKeyYJZIPVDPYPQAMN-SFHVURJKSA-N
XLogP2.96
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (2S)-1-(1,3,2-dioxaborolan-2-yloxy)-3-methyl-1,1-diphenylbutan-2-amine?
The IUPAC name of (2S)-1-(1,3,2-dioxaborolan-2-yloxy)-3-methyl-1,1-diphenylbutan-2-amine (CID 25051993) is (2S)-1-(1,3,2-dioxaborolan-2-yloxy)-3-methyl-1,1-diphenylbutan-2-amine.
What is the SMILES notation for (2S)-1-(1,3,2-dioxaborolan-2-yloxy)-3-methyl-1,1-diphenylbutan-2-amine?
The canonical SMILES for (2S)-1-(1,3,2-dioxaborolan-2-yloxy)-3-methyl-1,1-diphenylbutan-2-amine is CC(C)[C@H](N)C(OB1OCCO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-1-(1,3,2-dioxaborolan-2-yloxy)-3-methyl-1,1-diphenylbutan-2-amine?
The InChIKey is YJZIPVDPYPQAMN-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24BNO3/c1-15(2)18(21)19(16-9-5-3-6-10-16,17-11-7-4-8-12-17)24-20-22-13-14-23-20/h3-12,15,18H,13-14,21H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-1-(1,3,2-dioxaborolan-2-yloxy)-3-methyl-1,1-diphenylbutan-2-amine?
(2S)-1-(1,3,2-dioxaborolan-2-yloxy)-3-methyl-1,1-diphenylbutan-2-amine has a molecular weight of 325.22 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1,3,2-dioxaborolan-2-yloxy)-3-methyl-1,1-diphenylbutan-2-amine is sourced from PubChem (CID 25051993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).