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(2H-1,3-benzodioxol-5-ylmethyl)[(2-fluorophenyl)methyl]amine hydrobromide

(2H-1,3-benzodioxol-5-ylmethyl)[(2-fluorophenyl)methyl]amine hydrobromide

CAS: 355815-61-1

Formula: C15H15BrFNO2

SMILES: Br.FC1=C(CNCC2=CC3=C(OCO3)C=C2)C=CC=C1

IUPAC: [(2H-1,3-benzodioxol-5-yl)methyl][(2-fluorophenyl)methyl]amine hydrobromide

InChI: InChI=1S/C15H14FNO2.BrH/c16-13-4-2-1-3-12(13)9-17-8-11-5-6-14-15(7-11)19-10-18-14;/h1-7,17H,8-10H2;1H

Composition: C (52.96%), H (4.44%), Br (23.49%), F (5.58%), N (4.12%), O (9.41%)

Molar Mass: 340.192

Atom Count: 35

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 339.02702
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey IUUWKWDTXMAKOT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.9
Topological Polar Surface Area 30.49
Polarizability 27.24
Ring Count 3
Rotatable Bond Count 4

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