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Summary Geometry Related PDB entries

38F

Summary

Name:	(2S)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-(3,4-dimethylphenoxy)propan-2-ol
Formula:	C20 H25 N O2
Formal charge:	0
Formula weight:	311.418 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2S)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-(3,4-dimethylphenoxy)propan-2-ol
OpenEye OEToolkits	1.9.2	(2S)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-(3,4-dimethylphenoxy)propan-2-ol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O(c1cc(c(cc1)C)C)CC(O)CNC3Cc2ccccc2C3
InChI	InChI	1.03	InChI=1S/C20H25NO2/c1-14-7-8-20(9-15(14)2)23-13-19(22)12-21-18-10-16-5-3-4-6-17(16)11-18/h3-9,18-19,21-22H,10-13H2,1-2H3/t19-/m0/s1
InChIKey	InChI	1.03	ZDNVKJORSKCXID-IBGZPJMESA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1ccc(OC[C@@H](O)CNC2Cc3ccccc3C2)cc1C
SMILES	CACTVS	3.385	Cc1ccc(OC[CH](O)CNC2Cc3ccccc3C2)cc1C
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	Cc1ccc(cc1C)OC[C@H](CNC2Cc3ccccc3C2)O
SMILES	OpenEye OEToolkits	1.9.2	Cc1ccc(cc1C)OCC(CNC2Cc3ccccc3C2)O

222415

PDB entries from 2024-07-10

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