5-bromo-2-(cyclopentylmethoxy)aniline

5-bromo-2-(cyclopentylmethoxy)aniline

CAS: 946699-84-9

Formula: C12H16BrNO

SMILES: NC1=C(OCC2CCCC2)C=CC(Br)=C1

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

InChI: InChI=1S/C12H16BrNO/c13-10-5-6-12(11(14)7-10)15-8-9-3-1-2-4-9/h5-7,9H,1-4,8,14H2

Composition: C (53.35%), H (5.97%), Br (29.58%), N (5.18%), O (5.92%)

Molar Mass: 270.17

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	269.041527
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	IKMANBQIHLPYDR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.99
Topological Polar Surface Area	35.25
Polarizability	25.21
Ring Count	2
Rotatable Bond Count	3

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