5-bromo-2-[4-(2-methylbutan-2-yl)phenoxy]aniline

5-bromo-2-[4-(2-methylbutan-2-yl)phenoxy]aniline

CAS: 946786-86-3

Formula: C17H20BrNO

SMILES: CCC(C)(C)C1=CC=C(OC2=C(N)C=C(Br)C=C2)C=C1

IUPAC: 5-bromo-2-[4-(2-methylbutan-2-yl)phenoxy]aniline

InChI: InChI=1S/C17H20BrNO/c1-4-17(2,3)12-5-8-14(9-6-12)20-16-10-7-13(18)11-15(16)19/h5-11H,4,19H2,1-3H3

Composition: C (61.09%), H (6.03%), Br (23.90%), N (4.19%), O (4.79%)

Molar Mass: 334.257

Atom Count: 40

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	333.072827
Formal Charge	0
FSP3	0.29
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	JGGRHISZBQAARA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	87.89
Topological Polar Surface Area	35.25
Polarizability	33.6
Ring Count	2
Rotatable Bond Count	4

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