(2H-1,3-benzodioxol-5-ylmethyl)[(4-fluorophenyl)methyl]amine hydrochloride

(2H-1,3-benzodioxol-5-ylmethyl)[(4-fluorophenyl)methyl]amine hydrochloride

CAS: 1135233-49-6

Formula: C15H15ClFNO2

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

IUPAC: [(2H-1,3-benzodioxol-5-yl)methyl][(4-fluorophenyl)methyl]amine hydrochloride

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

Composition: C (60.92%), H (5.11%), Cl (11.99%), F (6.42%), N (4.74%), O (10.82%)

Molar Mass: 295.74

Atom Count: 35

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	295.0775346
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YSSRJWSXWVMZJW-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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