N-{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}aniline

N-{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}aniline

CAS: 1029439-56-2

Formula: C19H24BNO2

SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(CNC2=CC=CC=C2)C=C1

IUPAC: N-{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}aniline

InChI: InChI=1S/C19H24BNO2/c1-18(2)19(3,4)23-20(22-18)16-12-10-15(11-13-16)14-21-17-8-6-5-7-9-17/h5-13,21H,14H2,1-4H3

Composition: C (73.80%), H (7.82%), B (3.50%), N (4.53%), O (10.35%)

Molar Mass: 309.22

Atom Count: 47

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	309.190009
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KNYGNGFJIPTYBJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	90.52
Topological Polar Surface Area	30.49
Polarizability	36.61
Ring Count	3
Rotatable Bond Count	4

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