(2H-1,3-benzodioxol-5-ylmethyl)[(5-methylfuran-2-yl)methyl]amine

(2H-1,3-benzodioxol-5-ylmethyl)[(5-methylfuran-2-yl)methyl]amine

CAS: 626208-65-9

Formula: C14H15NO3

SMILES: CC1=CC=C(CNCC2=CC3=C(OCO3)C=C2)O1

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

InChI: InChI=1S/C14H15NO3/c1-10-2-4-12(18-10)8-15-7-11-3-5-13-14(6-11)17-9-16-13/h2-6,15H,7-9H2,1H3

Composition: C (68.56%), H (6.16%), N (5.71%), O (19.57%)

Molar Mass: 245.278

Atom Count: 33

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	245.105193347
Formal Charge	0
FSP3	0.29
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LALLZDKLMLGVGB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.23
Topological Polar Surface Area	43.63
Polarizability	26.22
Ring Count	3
Rotatable Bond Count	4

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