1833 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 8 7 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 6 6 6 7 8 9 9 10 10 11 11 12 13 14 14 14 12 14 7 8 18 10 24 25 5 6 8 7 9 10 15 16 11 17 12 19 20 21 13 22 13 23 26 27 28 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 2.866 6.4103 8.0102 6.4103 5.4641 6.721 5.4641 6.9939 4.5981 7.6995 4.5981 3.732 3.732 2 6.7004 6.1072 7.6139 6.6029 4.5981 7.7201 8.3133 4.5981 3.1951 8.6168 7.5961 1.69 1.4631 2.31 0.0103 -1.7944 1.9223 -0.185 -0.4897 0.7656 -1.4897 -0.9897 0.0103 0.9718 -1.9897 -0.4897 -1.4897 -0.4897 1.3852 0.8529 -0.9897 -2.3838 0.6303 0.3521 0.8844 -2.6097 -1.7997 2.0502 2.3838 0.0472 -0.7997 -1.0266 8 8 8 8 8 8 8 8 8 8 2 2 4 4 5 5 7 9 11 12 7 8 5 8 7 9 11 12 13 13 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 186 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C073200000000000000000000000000000016000000030000000000000005801F000001E00100000000C0CC19E063EC6F2C99400A0033467440082882031222008D9A03E6C980C26E2C4B19B84302864D011C8E807B0D0F20E80400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(5-methoxy-1H-indol-3-yl)ethanamine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(5-methoxy-1H-indol-3-yl)ethanamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(5-methoxy-1<I>H</I>-indol-3-yl)ethanamine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(5-methoxy-1H-indol-3-yl)ethanamine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(5-methoxy-1H-indol-3-yl)ethanamine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(5-methoxy-1H-indol-3-yl)ethylamine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 JTEJPPKMYBDEMY-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 190.110613074 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C11H14N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 190.24 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC2=C(C=C1)NC=C2CCN SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC2=C(C=C1)NC=C2CCN Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 51 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 190.110613074 14 0 0 0 0 0 0 0 1 1