7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine

C16H20BNO2 — CID 162526804

IUPAC7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine
SMILESCC1(C)OB(c2ccc3cccc(N)c3c2)OC1(C)C
InChIInChI=1S/C16H20BNO2/c1-15(2)16(3,4)20-17(19-15)12-9-8-11-6-5-7-14(18)13(11)10-12/h5-10H,18H2,1-4H3
InChIKeyVHBALARXNSEFPL-UHFFFAOYSA-N
MW269.15 g/mol
LogP2.72
Rot. Bonds1

About 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine

7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine (PubChem CID 162526804) has the molecular formula C16H20BNO2 and a molecular weight of 269.15 g/mol. Its IUPAC name is 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine.

Molecular Properties

Compound Name7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine
PubChem CID162526804
Molecular FormulaC16H20BNO2
Molecular Weight269.15 g/mol
Exact Mass269.16
IUPAC Name7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine
SMILESCC1(C)OB(c2ccc3cccc(N)c3c2)OC1(C)C
InChIInChI=1S/C16H20BNO2/c1-15(2)16(3,4)20-17(19-15)12-9-8-11-6-5-7-14(18)13(11)10-12/h5-10H,18H2,1-4H3
InChIKeyVHBALARXNSEFPL-UHFFFAOYSA-N
XLogP2.72
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine?
The IUPAC name of 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine (CID 162526804) is 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine.
What is the SMILES notation for 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine?
The canonical SMILES for 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine is CC1(C)OB(c2ccc3cccc(N)c3c2)OC1(C)C.
What is the InChIKey of 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine?
The InChIKey is VHBALARXNSEFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BNO2/c1-15(2)16(3,4)20-17(19-15)12-9-8-11-6-5-7-14(18)13(11)10-12/h5-10H,18H2,1-4H3.
What are the key properties of 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine?
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine has a molecular weight of 269.15 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine is sourced from PubChem (CID 162526804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).