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

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

CAS: 1185304-11-3

Formula: C16H18ClNO3

SMILES: Cl.COC1=CC=CC(CNCC2=CC3=C(OCO3)C=C2)=C1

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

InChI: InChI=1S/C16H17NO3.ClH/c1-18-14-4-2-3-12(7-14)9-17-10-13-5-6-15-16(8-13)20-11-19-15;/h2-8,17H,9-11H2,1H3;1H

Composition: C (62.44%), H (5.90%), Cl (11.52%), N (4.55%), O (15.59%)

Molar Mass: 307.77

Atom Count: 39

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	307.0975211
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	ADKAJCRYFFLCCX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.15
Topological Polar Surface Area	39.72
Polarizability	30.11
Ring Count	3
Rotatable Bond Count	5

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