5-bromo-2-(2-cyclohexylethoxy)aniline

5-bromo-2-(2-cyclohexylethoxy)aniline

CAS: 946786-44-3

Formula: C14H20BrNO

SMILES: NC1=C(OCCC2CCCCC2)C=CC(Br)=C1

IUPAC: 5-bromo-2-(2-cyclohexylethoxy)aniline

InChI: InChI=1S/C14H20BrNO/c15-12-6-7-14(13(16)10-12)17-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9,16H2

Composition: C (56.39%), H (6.76%), Br (26.79%), N (4.70%), O (5.36%)

Molar Mass: 298.224

Atom Count: 37

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	297.072827
Formal Charge	0
FSP3	0.57
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	KILWSMFBDCGOFK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.27
Topological Polar Surface Area	35.25
Polarizability	28.87
Ring Count	2
Rotatable Bond Count	4

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