ISDA: 7JJQ

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: K7M

IUPAC Name: (2R)-N-hydroxy-1-phenylpropan-2-amine

Formal Charge: 0

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: c1ccccc1

InChI: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H

InChI Key: UHOVQNZJYSORNB-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C9 H13 N O

Molecular weight: 151.206

Hydrogen Bond Acceptor: 2

Hydrogen Bond Donor: 2

Rotatable Bonds: 5

Heavy Atoms: 11

Systematic name

Program	Version	Descriptor
ACDLabs	12.01	(2R)-N-hydroxy-1-phenylpropan-2-amine
OpenEye OEToolkits	2.0.6	~{N}-[(2~{R})-1-phenylpropan-2-yl]hydroxylamine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1ccccc1CC(C)NO
InChI	InChI	1.03	InChI=1S/C9H13NO/c1-8(10-11)7-9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3/t8-/m1/s1
InChIKey	InChI	1.03	LPZRPPBVFGJUOJ-MRVPVSSYSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@H](Cc1ccccc1)NO
SMILES	CACTVS	3.385	C[CH](Cc1ccccc1)NO
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	C[C@H](Cc1ccccc1)NO
SMILES	OpenEye OEToolkits	2.0.6	CC(Cc1ccccc1)NO

Chemical Database Mapping