[1-(adamantan-1-yl)ethyl](2H-1,3-benzodioxol-5-ylmethyl)amine hydrochloride

[1-(adamantan-1-yl)ethyl](2H-1,3-benzodioxol-5-ylmethyl)amine hydrochloride

CAS: 1048343-71-0

Formula: C20H28ClNO2

SMILES: Cl.CC(NCC1=CC2=C(OCO2)C=C1)C12CC3CC(CC(C3)C1)C2

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

InChI: InChI=1/C20H27NO2.ClH/c1-13(20-8-15-4-16(9-20)6-17(5-15)10-20)21-11-14-2-3-18-19(7-14)23-12-22-18;/h2-3,7,13,15-17,21H,4-6,8-12H2,1H3;1H

Composition: C (68.65%), H (8.07%), Cl (10.13%), N (4.00%), O (9.14%)

Molar Mass: 349.9

Atom Count: 52

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	349.1808568
Formal Charge	0
FSP3	0.7
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HWBDKFLZDXKBKM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.68
Topological Polar Surface Area	30.49
Polarizability	36.07
Ring Count	5
Rotatable Bond Count	4

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