5-bromo-1,2,3,4-tetrahydroisoquinolin-8-amine

5-bromo-1,2,3,4-tetrahydroisoquinolin-8-amine

CAS: 1260779-54-1

Formula: C9H11BrN2

SMILES: NC1=CC=C(Br)C2=C1CNCC2

IUPAC: 5-bromo-1,2,3,4-tetrahydroisoquinolin-8-amine

InChI: InChI=1S/C9H11BrN2/c10-8-1-2-9(11)7-5-12-4-3-6(7)8/h1-2,12H,3-5,11H2

Composition: C (47.60%), H (4.88%), Br (35.18%), N (12.34%)

Molar Mass: 227.105

Atom Count: 23

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	226.010561
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	ZCXVHSIERUIKMS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.94
Topological Polar Surface Area	38.05
Polarizability	20.46
Ring Count	2
Rotatable Bond Count	0

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