BioLiP

PDB

BioLiP

PDB CCD ID:

8B2

Number of entries in BioLiP:

Chemical formula:

C12 H18 N2 O

InChI:

InChI=1S/C12H18N2O/c1-10(13)11-2-4-12(5-3-11)14-6-8-15-9-7-14/h2-5,10H,6-9,13H2,1H3/t10-/m1/s1

InChIKey:

NQOHGGYEBXCWJV-SNVBAGLBSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	CC(N)c1ccc(cc1)N1CCOCC1
OpenEye OEToolkits 2.0.7	C[C@H](c1ccc(cc1)N2CCOCC2)N
CACTVS 3.385	C[C@@H](N)c1ccc(cc1)N2CCOCC2
OpenEye OEToolkits 2.0.7	CC(c1ccc(cc1)N2CCOCC2)N
CACTVS 3.385	C[CH](N)c1ccc(cc1)N2CCOCC2

Name:

(1R)-1-[4-(morpholin-4-yl)phenyl]ethan-1-amine

ZINC:

ZINC000001304657

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).