(2H-1,3-benzodioxol-5-ylmethyl)(furan-2-ylmethyl)amine

(2H-1,3-benzodioxol-5-ylmethyl)(furan-2-ylmethyl)amine

CAS: 510723-65-6

Formula: C13H13NO3

SMILES: C(NCC1=CC2=C(OCO2)C=C1)C1=CC=CO1

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

InChI: InChI=1S/C13H13NO3/c1-2-11(15-5-1)8-14-7-10-3-4-12-13(6-10)17-9-16-12/h1-6,14H,7-9H2

Composition: C (67.52%), H (5.67%), N (6.06%), O (20.76%)

Molar Mass: 231.251

Atom Count: 30

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	231.089543283
Formal Charge	0
FSP3	0.23
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	IYJBVWFYSKYHQY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.08
Topological Polar Surface Area	43.63
Polarizability	24.46
Ring Count	3
Rotatable Bond Count	4

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