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

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

CAS: 1049741-49-2

Formula: C15H24ClNO2

SMILES: Cl.CC(C)CCNCC1OCC2=C(CO1)C=CC=C2

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

InChI: InChI=1S/C15H23NO2.ClH/c1-12(2)7-8-16-9-15-17-10-13-5-3-4-6-14(13)11-18-15;/h3-6,12,15-16H,7-11H2,1-2H3;1H

Composition: C (63.04%), H (8.46%), Cl (12.40%), N (4.90%), O (11.20%)

Molar Mass: 285.81

Atom Count: 43

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	285.1495567
Formal Charge	0
FSP3	0.6
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KTTHORNEJZAUKZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.11
Topological Polar Surface Area	30.49
Polarizability	29.08
Ring Count	2
Rotatable Bond Count	5

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