ISDA: 9W8C

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1EV2

IUPAC Name: Tenamfetamine

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: c1ccc2c(c1)OCO2

InChI: InChI=1S/C7H6O2/c1-2-4-7-6(3-1)8-5-9-7/h1-4H,5H2

InChI Key: FTNJQNQLEGKTGD-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C10 H13 N O2

Molecular weight: 179.216

Hydrogen Bond Acceptor: 3

Hydrogen Bond Donor: 1

Rotatable Bonds: 4

Heavy Atoms: 13

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	(2~{R})-1-(1,3-benzodioxol-5-yl)propan-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3/t7-/m1/s1
InChIKey	InChI	1.06	NGBBVGZWCFBOGO-SSDOTTSWSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@@H](N)Cc1ccc2OCOc2c1
SMILES	CACTVS	3.385	C[CH](N)Cc1ccc2OCOc2c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C[C@H](Cc1ccc2c(c1)OCO2)N
SMILES	OpenEye OEToolkits	2.0.7	CC(Cc1ccc2c(c1)OCO2)N