4-{[(2H-1,3-benzodioxol-5-ylmethyl)amino]methyl}-2,2-dimethyloxan-4-ol

4-{[(2H-1,3-benzodioxol-5-ylmethyl)amino]methyl}-2,2-dimethyloxan-4-ol

CAS: 355822-82-1

Formula: C16H23NO4

SMILES: CC1(C)CC(O)(CNCC2=CC3=C(OCO3)C=C2)CCO1

IUPAC: 4-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-2,2-dimethyloxan-4-ol

InChI: InChI=1/C16H23NO4/c1-15(2)9-16(18,5-6-21-15)10-17-8-12-3-4-13-14(7-12)20-11-19-13/h3-4,7,17-18H,5-6,8-11H2,1-2H3

Composition: C (65.51%), H (7.90%), N (4.77%), O (21.81%)

Molar Mass: 293.363

Atom Count: 44

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	293.162708225
Formal Charge	0
FSP3	0.62
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	YUFGVAYYXDAHKF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.79
Topological Polar Surface Area	59.95
Polarizability	31.48
Ring Count	3
Rotatable Bond Count	4

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