N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

C14H22BNO2 — CID 2758659

IUPACN,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
SMILESCN(C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C14H22BNO2/c1-13(2)14(3,4)18-15(17-13)11-7-9-12(10-8-11)16(5)6/h7-10H,1-6H3
InChIKeyDGMLJJIUOFKPKB-UHFFFAOYSA-N
MW247.15 g/mol
LogP2.05
Rot. Bonds2

About N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (PubChem CID 2758659) has the molecular formula C14H22BNO2 and a molecular weight of 247.15 g/mol. Its IUPAC name is N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
PubChem CID2758659
Molecular FormulaC14H22BNO2
Molecular Weight247.15 g/mol
Exact Mass247.17
IUPAC NameN,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
SMILESCN(C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C14H22BNO2/c1-13(2)14(3,4)18-15(17-13)11-7-9-12(10-8-11)16(5)6/h7-10H,1-6H3
InChIKeyDGMLJJIUOFKPKB-UHFFFAOYSA-N
XLogP2.05
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.15
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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Related Compounds

N-(2-bromoethyl)-N-(2-chloroethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 71607675
N,N-bis(2-chloroethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 71607728
4-(Dimethylamino)phenylboronic acid
CID 2734344
4'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide
CID 2734619
4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 2734620
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 2734652
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 2734655
3-(Dimethylamino)benzeneboronic acid
CID 2762527
N,N-bis(2-bromoethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 71607730
2-(Dimethylamino)phenylboronic acid pinacol ester
CID 2758658
3'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide
CID 2773989
4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
CID 2795361

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CID 2758659) is N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is CN(C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1.
What is the InChIKey of N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?
The InChIKey is DGMLJJIUOFKPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BNO2/c1-13(2)14(3,4)18-15(17-13)11-7-9-12(10-8-11)16(5)6/h7-10H,1-6H3.
What are the key properties of N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?
N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline has a molecular weight of 247.15 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is sourced from PubChem (CID 2758659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).