N,N-dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine

C15H24BNO2 — CID 3460459

IUPACN,N-dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
SMILESCN(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C15H24BNO2/c1-14(2)15(3,4)19-16(18-14)13-9-7-12(8-10-13)11-17(5)6/h7-10H,11H2,1-6H3
InChIKeySATLWVSJANHADH-UHFFFAOYSA-N
MW261.17 g/mol
LogP2.05
Rot. Bonds3

About N,N-dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine

N,N-dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine (PubChem CID 3460459) has the molecular formula C15H24BNO2 and a molecular weight of 261.17 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
PubChem CID3460459
Molecular FormulaC15H24BNO2
Molecular Weight261.17 g/mol
Exact Mass261.19
IUPAC NameN,N-dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
SMILESCN(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C15H24BNO2/c1-14(2)15(3,4)19-16(18-14)13-9-7-12(8-10-13)11-17(5)6/h7-10H,11H2,1-6H3
InChIKeySATLWVSJANHADH-UHFFFAOYSA-N
XLogP2.05
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.17
LogP ≤ 52.05
H-Bond Donors ≤ 50
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 N,N-dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine (CID 3460459) is N,N-dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine is CN(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.
What is the InChIKey of N,N-dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine?
The InChIKey is SATLWVSJANHADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BNO2/c1-14(2)15(3,4)19-16(18-14)13-9-7-12(8-10-13)11-17(5)6/h7-10H,11H2,1-6H3.
What are the key properties of N,N-dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine?
N,N-dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine has a molecular weight of 261.17 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine is sourced from PubChem (CID 3460459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).