7-[3-(2-aminoethyl)-1H-indol-5-yl]-3-hydroxynaphthalene-2-carboxylic acid;6-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalen-2-ol;[4-[3-(2-aminoethyl)-1H-indol-5-yl]phenyl]-phenylmethanone;2-[5-(1-benzothiophen-2-yl)-1H-indol-3-yl]ethanamine;2-(5-dibenzofuran-4-yl-1H-indol-3-yl)ethanamine;2-[5-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]ethanamine;2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine;2-[5-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]ethanamine;pentahydrochloride

C156H144Cl5F3N16O6S2 — CID 173262221

IUPAC7-[3-(2-aminoethyl)-1H-indol-5-yl]-3-hydroxynaphthalene-2-carboxylic acid;6-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalen-2-ol;[4-[3-(2-aminoethyl)-1H-indol-5-yl]phenyl]-phenylmethanone;2-[5-(1-benzothiophen-2-yl)-1H-indol-3-yl]ethanamine;2-(5-dibenzofuran-4-yl-1H-indol-3-yl)ethanamine;2-[5-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]ethanamine;2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine;2-[5-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]ethanamine;pentahydrochloride
SMILESCc1ccc(-c2ccc3[nH]cc(CCN)c3c2)c2ccccc12.Cl.Cl.Cl.Cl.Cl.NCCc1c[nH]c2ccc(-c3cc4ccccc4s3)cc12.NCCc1c[nH]c2ccc(-c3ccc(C(=O)c4ccccc4)cc3)cc12.NCCc1c[nH]c2ccc(-c3ccc4cc(O)c(C(=O)O)cc4c3)cc12.NCCc1c[nH]c2ccc(-c3ccc4cc(O)ccc4c3)cc12.NCCc1c[nH]c2ccc(-c3cccc(C(F)(F)F)c3)cc12.NCCc1c[nH]c2ccc(-c3cccc4c3oc3ccccc34)cc12.NCCc1c[nH]c2ccc(-c3cccs3)cc12
InChIInChI=1S/C23H20N2O.C22H18N2O.C21H18N2O3.C21H20N2.C20H18N2O.C18H16N2S.C17H15F3N2.C14H14N2S.5ClH/c24-13-12-20-15-25-22-11-10-19(14-21(20)22)16-6-8-18(9-7-16)23(26)17-4-2-1-3-5-17;23-11-10-15-13-24-20-9-8-14(12-19(15)20)16-5-3-6-18-17-4-1-2-7-21(17)25-22(16)18;22-6-5-15-11-23-19-4-3-13(8-17(15)19)12-1-2-14-10-20(24)18(21(25)26)9-16(14)7-12;1-14-6-8-18(19-5-3-2-4-17(14)19)15-7-9-21-20(12-15)16(10-11-22)13-23-21;21-8-7-17-12-22-20-6-4-16(11-19(17)20)13-1-2-15-10-18(23)5-3-14(15)9-13;19-8-7-14-11-20-16-6-5-13(9-15(14)16)18-10-12-3-1-2-4-17(12)21-18;18-17(19,20)14-3-1-2-11(8-14)12-4-5-16-15(9-12)13(6-7-21)10-22-16;15-6-5-11-9-16-13-4-3-10(8-12(11)13)14-2-1-7-17-14;;;;;/h1-11,14-15,25H,12-13,24H2;1-9,12-13,24H,10-11,23H2;1-4,7-11,23-24H,5-6,22H2,(H,25,26);2-9,12-13,23H,10-11,22H2,1H3;1-6,9-12,22-23H,7-8,21H2;1-6,9-11,20H,7-8,19H2;1-5,8-10,22H,6-7,21H2;1-4,7-9,16H,5-6,15H2;5*1H
InChIKeyWNCUREGHRBNKQS-UHFFFAOYSA-N
MW2637.37 g/mol
LogP37.10
Rot. Bonds27

About 7-[3-(2-aminoethyl)-1H-indol-5-yl]-3-hydroxynaphthalene-2-carboxylic acid;6-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalen-2-ol;[4-[3-(2-aminoethyl)-1H-indol-5-yl]phenyl]-phenylmethanone;2-[5-(1-benzothiophen-2-yl)-1H-indol-3-yl]ethanamine;2-(5-dibenzofuran-4-yl-1H-indol-3-yl)ethanamine;2-[5-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]ethanamine;2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine;2-[5-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]ethanamine;pentahydrochloride

7-[3-(2-aminoethyl)-1H-indol-5-yl]-3-hydroxynaphthalene-2-carboxylic acid;6-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalen-2-ol;[4-[3-(2-aminoethyl)-1H-indol-5-yl]phenyl]-phenylmethanone;2-[5-(1-benzothiophen-2-yl)-1H-indol-3-yl]ethanamine;2-(5-dibenzofuran-4-yl-1H-indol-3-yl)ethanamine;2-[5-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]ethanamine;2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine;2-[5-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]ethanamine;pentahydrochloride (PubChem CID 173262221) has the molecular formula C156H144Cl5F3N16O6S2 and a molecular weight of 2637.37 g/mol. Its IUPAC name is 7-[3-(2-aminoethyl)-1H-indol-5-yl]-3-hydroxynaphthalene-2-carboxylic acid;6-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalen-2-ol;[4-[3-(2-aminoethyl)-1H-indol-5-yl]phenyl]-phenylmethanone;2-[5-(1-benzothiophen-2-yl)-1H-indol-3-yl]ethanamine;2-(5-dibenzofuran-4-yl-1H-indol-3-yl)ethanamine;2-[5-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]ethanamine;2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine;2-[5-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]ethanamine;pentahydrochloride.

Molecular Properties

Compound Name7-[3-(2-aminoethyl)-1H-indol-5-yl]-3-hydroxynaphthalene-2-carboxylic acid;6-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalen-2-ol;[4-[3-(2-aminoethyl)-1H-indol-5-yl]phenyl]-phenylmethanone;2-[5-(1-benzothiophen-2-yl)-1H-indol-3-yl]ethanamine;2-(5-dibenzofuran-4-yl-1H-indol-3-yl)ethanamine;2-[5-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]ethanamine;2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine;2-[5-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]ethanamine;pentahydrochloride
PubChem CID173262221
Molecular FormulaC156H144Cl5F3N16O6S2
Molecular Weight2637.37 g/mol
Exact Mass2632.93
IUPAC Name7-[3-(2-aminoethyl)-1H-indol-5-yl]-3-hydroxynaphthalene-2-carboxylic acid;6-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalen-2-ol;[4-[3-(2-aminoethyl)-1H-indol-5-yl]phenyl]-phenylmethanone;2-[5-(1-benzothiophen-2-yl)-1H-indol-3-yl]ethanamine;2-(5-dibenzofuran-4-yl-1H-indol-3-yl)ethanamine;2-[5-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]ethanamine;2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine;2-[5-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]ethanamine;pentahydrochloride
SMILESCc1ccc(-c2ccc3[nH]cc(CCN)c3c2)c2ccccc12.Cl.Cl.Cl.Cl.Cl.NCCc1c[nH]c2ccc(-c3cc4ccccc4s3)cc12.NCCc1c[nH]c2ccc(-c3ccc(C(=O)c4ccccc4)cc3)cc12.NCCc1c[nH]c2ccc(-c3ccc4cc(O)c(C(=O)O)cc4c3)cc12.NCCc1c[nH]c2ccc(-c3ccc4cc(O)ccc4c3)cc12.NCCc1c[nH]c2ccc(-c3cccc(C(F)(F)F)c3)cc12.NCCc1c[nH]c2ccc(-c3cccc4c3oc3ccccc34)cc12.NCCc1c[nH]c2ccc(-c3cccs3)cc12
InChIInChI=1S/C23H20N2O.C22H18N2O.C21H18N2O3.C21H20N2.C20H18N2O.C18H16N2S.C17H15F3N2.C14H14N2S.5ClH/c24-13-12-20-15-25-22-11-10-19(14-21(20)22)16-6-8-18(9-7-16)23(26)17-4-2-1-3-5-17;23-11-10-15-13-24-20-9-8-14(12-19(15)20)16-5-3-6-18-17-4-1-2-7-21(17)25-22(16)18;22-6-5-15-11-23-19-4-3-13(8-17(15)19)12-1-2-14-10-20(24)18(21(25)26)9-16(14)7-12;1-14-6-8-18(19-5-3-2-4-17(14)19)15-7-9-21-20(12-15)16(10-11-22)13-23-21;21-8-7-17-12-22-20-6-4-16(11-19(17)20)13-1-2-15-10-18(23)5-3-14(15)9-13;19-8-7-14-11-20-16-6-5-13(9-15(14)16)18-10-12-3-1-2-4-17(12)21-18;18-17(19,20)14-3-1-2-11(8-14)12-4-5-16-15(9-12)13(6-7-21)10-22-16;15-6-5-11-9-16-13-4-3-10(8-12(11)13)14-2-1-7-17-14;;;;;/h1-11,14-15,25H,12-13,24H2;1-9,12-13,24H,10-11,23H2;1-4,7-11,23-24H,5-6,22H2,(H,25,26);2-9,12-13,23H,10-11,22H2,1H3;1-6,9-12,22-23H,7-8,21H2;1-6,9-11,20H,7-8,19H2;1-5,8-10,22H,6-7,21H2;1-4,7-9,16H,5-6,15H2;5*1H
InChIKeyWNCUREGHRBNKQS-UHFFFAOYSA-N
XLogP37.10
TPSA442.45 Ų
H-Bond Donors19
H-Bond Acceptors15
Rotatable Bonds27
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002637.37
LogP ≤ 537.10
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1015

Analyze 7-[3-(2-aminoethyl)-1H-indol-5-yl]-3-hydroxynaphthalene-2-carboxylic acid;6-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalen-2-ol;[4-[3-(2-aminoethyl)-1H-indol-5-yl]phenyl]-phenylmethanone;2-[5-(1-benzothiophen-2-yl)-1H-indol-3-yl]ethanamine;2-(5-dibenzofuran-4-yl-1H-indol-3-yl)ethanamine;2-[5-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]ethanamine;2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine;2-[5-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]ethanamine;pentahydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(2-aminoethyl)-1H-indol-5-yl]-3-hydroxynaphthalene-2-carboxylic acid;6-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalen-2-ol;[4-[3-(2-aminoethyl)-1H-indol-5-yl]phenyl]-phenylmethanone;2-[5-(1-benzothiophen-2-yl)-1H-indol-3-yl]ethanamine;2-(5-dibenzofuran-4-yl-1H-indol-3-yl)ethanamine;2-[5-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]ethanamine;2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine;2-[5-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]ethanamine;pentahydrochloride?
The IUPAC name of 7-[3-(2-aminoethyl)-1H-indol-5-yl]-3-hydroxynaphthalene-2-carboxylic acid;6-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalen-2-ol;[4-[3-(2-aminoethyl)-1H-indol-5-yl]phenyl]-phenylmethanone;2-[5-(1-benzothiophen-2-yl)-1H-indol-3-yl]ethanamine;2-(5-dibenzofuran-4-yl-1H-indol-3-yl)ethanamine;2-[5-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]ethanamine;2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine;2-[5-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]ethanamine;pentahydrochloride (CID 173262221) is 7-[3-(2-aminoethyl)-1H-indol-5-yl]-3-hydroxynaphthalene-2-carboxylic acid;6-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalen-2-ol;[4-[3-(2-aminoethyl)-1H-indol-5-yl]phenyl]-phenylmethanone;2-[5-(1-benzothiophen-2-yl)-1H-indol-3-yl]ethanamine;2-(5-dibenzofuran-4-yl-1H-indol-3-yl)ethanamine;2-[5-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]ethanamine;2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine;2-[5-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]ethanamine;pentahydrochloride.
What is the SMILES notation for 7-[3-(2-aminoethyl)-1H-indol-5-yl]-3-hydroxynaphthalene-2-carboxylic acid;6-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalen-2-ol;[4-[3-(2-aminoethyl)-1H-indol-5-yl]phenyl]-phenylmethanone;2-[5-(1-benzothiophen-2-yl)-1H-indol-3-yl]ethanamine;2-(5-dibenzofuran-4-yl-1H-indol-3-yl)ethanamine;2-[5-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]ethanamine;2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine;2-[5-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]ethanamine;pentahydrochloride?
The canonical SMILES for 7-[3-(2-aminoethyl)-1H-indol-5-yl]-3-hydroxynaphthalene-2-carboxylic acid;6-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalen-2-ol;[4-[3-(2-aminoethyl)-1H-indol-5-yl]phenyl]-phenylmethanone;2-[5-(1-benzothiophen-2-yl)-1H-indol-3-yl]ethanamine;2-(5-dibenzofuran-4-yl-1H-indol-3-yl)ethanamine;2-[5-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]ethanamine;2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine;2-[5-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]ethanamine;pentahydrochloride is Cc1ccc(-c2ccc3[nH]cc(CCN)c3c2)c2ccccc12.Cl.Cl.Cl.Cl.Cl.NCCc1c[nH]c2ccc(-c3cc4ccccc4s3)cc12.NCCc1c[nH]c2ccc(-c3ccc(C(=O)c4ccccc4)cc3)cc12.NCCc1c[nH]c2ccc(-c3ccc4cc(O)c(C(=O)O)cc4c3)cc12.NCCc1c[nH]c2ccc(-c3ccc4cc(O)ccc4c3)cc12.NCCc1c[nH]c2ccc(-c3cccc(C(F)(F)F)c3)cc12.NCCc1c[nH]c2ccc(-c3cccc4c3oc3ccccc34)cc12.NCCc1c[nH]c2ccc(-c3cccs3)cc12.
What is the InChIKey of 7-[3-(2-aminoethyl)-1H-indol-5-yl]-3-hydroxynaphthalene-2-carboxylic acid;6-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalen-2-ol;[4-[3-(2-aminoethyl)-1H-indol-5-yl]phenyl]-phenylmethanone;2-[5-(1-benzothiophen-2-yl)-1H-indol-3-yl]ethanamine;2-(5-dibenzofuran-4-yl-1H-indol-3-yl)ethanamine;2-[5-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]ethanamine;2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine;2-[5-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]ethanamine;pentahydrochloride?
The InChIKey is WNCUREGHRBNKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O.C22H18N2O.C21H18N2O3.C21H20N2.C20H18N2O.C18H16N2S.C17H15F3N2.C14H14N2S.5ClH/c24-13-12-20-15-25-22-11-10-19(14-21(20)22)16-6-8-18(9-7-16)23(26)17-4-2-1-3-5-17;23-11-10-15-13-24-20-9-8-14(12-19(15)20)16-5-3-6-18-17-4-1-2-7-21(17)25-22(16)18;22-6-5-15-11-23-19-4-3-13(8-17(15)19)12-1-2-14-10-20(24)18(21(25)26)9-16(14)7-12;1-14-6-8-18(19-5-3-2-4-17(14)19)15-7-9-21-20(12-15)16(10-11-22)13-23-21;21-8-7-17-12-22-20-6-4-16(11-19(17)20)13-1-2-15-10-18(23)5-3-14(15)9-13;19-8-7-14-11-20-16-6-5-13(9-15(14)16)18-10-12-3-1-2-4-17(12)21-18;18-17(19,20)14-3-1-2-11(8-14)12-4-5-16-15(9-12)13(6-7-21)10-22-16;15-6-5-11-9-16-13-4-3-10(8-12(11)13)14-2-1-7-17-14;;;;;/h1-11,14-15,25H,12-13,24H2;1-9,12-13,24H,10-11,23H2;1-4,7-11,23-24H,5-6,22H2,(H,25,26);2-9,12-13,23H,10-11,22H2,1H3;1-6,9-12,22-23H,7-8,21H2;1-6,9-11,20H,7-8,19H2;1-5,8-10,22H,6-7,21H2;1-4,7-9,16H,5-6,15H2;5*1H.
What are the key properties of 7-[3-(2-aminoethyl)-1H-indol-5-yl]-3-hydroxynaphthalene-2-carboxylic acid;6-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalen-2-ol;[4-[3-(2-aminoethyl)-1H-indol-5-yl]phenyl]-phenylmethanone;2-[5-(1-benzothiophen-2-yl)-1H-indol-3-yl]ethanamine;2-(5-dibenzofuran-4-yl-1H-indol-3-yl)ethanamine;2-[5-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]ethanamine;2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine;2-[5-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]ethanamine;pentahydrochloride?
7-[3-(2-aminoethyl)-1H-indol-5-yl]-3-hydroxynaphthalene-2-carboxylic acid;6-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalen-2-ol;[4-[3-(2-aminoethyl)-1H-indol-5-yl]phenyl]-phenylmethanone;2-[5-(1-benzothiophen-2-yl)-1H-indol-3-yl]ethanamine;2-(5-dibenzofuran-4-yl-1H-indol-3-yl)ethanamine;2-[5-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]ethanamine;2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine;2-[5-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]ethanamine;pentahydrochloride has a molecular weight of 2637.37 g/mol, XLogP of 37.10, 27 rotatable bonds, 19 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2-aminoethyl)-1H-indol-5-yl]-3-hydroxynaphthalene-2-carboxylic acid;6-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalen-2-ol;[4-[3-(2-aminoethyl)-1H-indol-5-yl]phenyl]-phenylmethanone;2-[5-(1-benzothiophen-2-yl)-1H-indol-3-yl]ethanamine;2-(5-dibenzofuran-4-yl-1H-indol-3-yl)ethanamine;2-[5-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]ethanamine;2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine;2-[5-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]ethanamine;pentahydrochloride is sourced from PubChem (CID 173262221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).