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

C23H26BNO2 — CID 154713243

IUPAC2-(2-methylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine
SMILESCc1ccccc1-c1c(B2OC(C)(C)C(C)(C)O2)cc2ccccc2c1N
InChIInChI=1S/C23H26BNO2/c1-15-10-6-8-12-17(15)20-19(24-26-22(2,3)23(4,5)27-24)14-16-11-7-9-13-18(16)21(20)25/h6-14H,25H2,1-5H3
InChIKeyPEGJSALNVDHYST-UHFFFAOYSA-N
MW359.28 g/mol
LogP4.70
Rot. Bonds2

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

2-(2-methylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine (PubChem CID 154713243) has the molecular formula C23H26BNO2 and a molecular weight of 359.28 g/mol. Its IUPAC name is 2-(2-methylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine.

Molecular Properties

Compound Name2-(2-methylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine
PubChem CID154713243
Molecular FormulaC23H26BNO2
Molecular Weight359.28 g/mol
Exact Mass359.21
IUPAC Name2-(2-methylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine
SMILESCc1ccccc1-c1c(B2OC(C)(C)C(C)(C)O2)cc2ccccc2c1N
InChIInChI=1S/C23H26BNO2/c1-15-10-6-8-12-17(15)20-19(24-26-22(2,3)23(4,5)27-24)14-16-11-7-9-13-18(16)21(20)25/h6-14H,25H2,1-5H3
InChIKeyPEGJSALNVDHYST-UHFFFAOYSA-N
XLogP4.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.28
LogP ≤ 54.70
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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Related Compounds

9-Aminoanthracene
CID 13069
3,3'-Dimethyl(1,1'-binaphthalene)-4,4'-diamine
CID 83166
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine
CID 53217195
2-Benzylnaphthalen-1-amine;hydrochloride
CID 45261779
2-Methyl-1-anthracenamine
CID 15716470
2-Phenylnaphthalen-1-amine
CID 300729
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-amine
CID 58315915
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine
CID 139270028
7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine
CID 162526804
Benz(a)anthracen-7-amine
CID 75422
5-Naphthacenamine
CID 88593901
4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 125452599

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine?
The IUPAC name of 2-(2-methylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine (CID 154713243) is 2-(2-methylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine.
What is the SMILES notation for 2-(2-methylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine?
The canonical SMILES for 2-(2-methylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine is Cc1ccccc1-c1c(B2OC(C)(C)C(C)(C)O2)cc2ccccc2c1N.
What is the InChIKey of 2-(2-methylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine?
The InChIKey is PEGJSALNVDHYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BNO2/c1-15-10-6-8-12-17(15)20-19(24-26-22(2,3)23(4,5)27-24)14-16-11-7-9-13-18(16)21(20)25/h6-14H,25H2,1-5H3.
What are the key properties of 2-(2-methylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine?
2-(2-methylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine has a molecular weight of 359.28 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine is sourced from PubChem (CID 154713243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).