1837 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 29 30 31 32 33 7 7 6 6 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 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 6 6 7 8 9 9 10 10 11 11 12 13 13 13 14 14 14 15 15 15 7 8 21 6 13 14 4 5 8 6 16 17 7 9 18 19 11 20 10 22 12 15 12 23 24 25 26 27 28 29 30 31 32 33 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 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 29 30 31 32 33 5.5443 7.1441 5.5443 5.855 4.5981 6.8335 4.5981 6.1279 3.732 2.866 3.732 2.866 8.1226 6.4763 2 5.8344 5.2411 6.854 7.4473 6.7479 5.7369 3.732 3.732 2.3291 8.2505 8.7293 7.9948 6.9378 6.0622 6.0148 2.31 1.4631 1.69 -1.9358 1.7809 -0.3264 0.6241 -0.6311 0.8304 -1.6311 -1.1311 -0.1311 -0.6311 -2.1311 -1.6311 1.9871 2.5252 -0.1311 1.2438 0.7115 0.2107 0.743 -1.1311 -2.5252 0.4889 -2.7511 -1.9411 1.3804 2.115 2.5938 2.9392 2.9866 2.1111 0.4058 0.1789 -0.6681 8 8 8 8 8 8 8 8 8 8 1 1 3 3 5 5 7 9 10 11 7 8 5 8 7 9 11 10 12 12 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 203 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 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 00000371E073000000000000000000000000000000016000000030000000000000005801F000001C00100000000C08C11E043EC0F3C99000A0033467440082802031022008D9A03864980820E2C09191842008609000C8C8071080C00E88000200000200001000040000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-dimethyl-2-(5-methyl-1H-indol-3-yl)ethanamine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-dimethyl-2-(5-methyl-1H-indol-3-yl)ethanamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>,<I>N</I>-dimethyl-2-(5-methyl-1<I>H</I>-indol-3-yl)ethanamine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-dimethyl-2-(5-methyl-1H-indol-3-yl)ethanamine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-dimethyl-2-(5-methyl-1H-indol-3-yl)ethanamine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dimethyl-[2-(5-methyl-1H-indol-3-yl)ethyl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C13H18N2/c1-10-4-5-13-12(8-10)11(9-14-13)6-7-15(2)3/h4-5,8-9,14H,6-7H2,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 NCGJLYBZSJSCIC-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 202.146998583 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C13H18N2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 202.30 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC2=C(C=C1)NC=C2CCN(C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC2=C(C=C1)NC=C2CCN(C)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 19 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 202.146998583 15 0 0 0 0 0 0 0 1 -1