(3,5-dihydro-1H-2,4-benzodioxepin-3-ylmethyl)(2-methylpropyl)amine

(3,5-dihydro-1H-2,4-benzodioxepin-3-ylmethyl)(2-methylpropyl)amine

CAS: 435345-27-0

Formula: C14H21NO2

SMILES: CC(C)CNCC1OCC2=CC=CC=C2CO1

IUPAC: [(3,5-dihydro-1H-2,4-benzodioxepin-3-yl)methyl](2-methylpropyl)amine

InChI: InChI=1S/C14H21NO2/c1-11(2)7-15-8-14-16-9-12-5-3-4-6-13(12)10-17-14/h3-6,11,14-15H,7-10H2,1-2H3

Composition: C (71.46%), H (9.00%), N (5.95%), O (13.60%)

Molar Mass: 235.327

Atom Count: 38

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	235.15722892
Formal Charge	0
FSP3	0.57
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ZEKYUNSJZVNFLX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.43
Topological Polar Surface Area	30.49
Polarizability	27.24
Ring Count	2
Rotatable Bond Count	4

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