4-[2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(1-benzothiophen-4-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(2-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine;1-[2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidine

C118H166Br2N6O13S2 — CID 158054197

IUPAC4-[2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(1-benzothiophen-4-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(2-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine;1-[2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidine
SMILESBrc1cccc(CCOC2CCCCC2N2CCOCC2)c1.Brc1ccccc1CCOC1CCCCC1N1CCOCC1.COc1ccc(CCOC2CCCCC2N2CCOCC2)cc1OC.c1cc(CCOC2CCCCC2N2CCOCC2)c2ccsc2c1.c1ccc2c(CCOC3CCCCC3N3CCCC3)cccc2c1.c1ccc2c(CCOC3CCCCC3N3CCOCC3)csc2c1
InChIInChI=1S/C22H29NO.C20H31NO4.2C20H27NO2S.2C18H26BrNO2/c1-2-11-20-18(8-1)9-7-10-19(20)14-17-24-22-13-4-3-12-21(22)23-15-5-6-16-23;1-22-19-8-7-16(15-20(19)23-2)9-12-25-18-6-4-3-5-17(18)21-10-13-24-14-11-21;1-4-8-20-17(5-1)16(15-24-20)9-12-23-19-7-3-2-6-18(19)21-10-13-22-14-11-21;1-2-6-19(18(5-1)21-10-13-22-14-11-21)23-12-8-16-4-3-7-20-17(16)9-15-24-20;19-16-5-3-4-15(14-16)8-11-22-18-7-2-1-6-17(18)20-9-12-21-13-10-20;19-16-6-2-1-5-15(16)9-12-22-18-8-4-3-7-17(18)20-10-13-21-14-11-20/h1-2,7-11,21-22H,3-6,12-17H2;7-8,15,17-18H,3-6,9-14H2,1-2H3;1,4-5,8,15,18-19H,2-3,6-7,9-14H2;3-4,7,9,15,18-19H,1-2,5-6,8,10-14H2;3-5,14,17-18H,1-2,6-13H2;1-2,5-6,17-18H,3-4,7-14H2
InChIKeyFJVPANUKELKBLV-UHFFFAOYSA-N
MW2100.60 g/mol
LogP23.22
Rot. Bonds32

About 4-[2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(1-benzothiophen-4-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(2-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine;1-[2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidine

4-[2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(1-benzothiophen-4-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(2-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine;1-[2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidine (PubChem CID 158054197) has the molecular formula C118H166Br2N6O13S2 and a molecular weight of 2100.60 g/mol. Its IUPAC name is 4-[2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(1-benzothiophen-4-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(2-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine;1-[2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidine.

Molecular Properties

Compound Name4-[2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(1-benzothiophen-4-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(2-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine;1-[2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidine
PubChem CID158054197
Molecular FormulaC118H166Br2N6O13S2
Molecular Weight2100.60 g/mol
Exact Mass2097.03
IUPAC Name4-[2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(1-benzothiophen-4-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(2-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine;1-[2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidine
SMILESBrc1cccc(CCOC2CCCCC2N2CCOCC2)c1.Brc1ccccc1CCOC1CCCCC1N1CCOCC1.COc1ccc(CCOC2CCCCC2N2CCOCC2)cc1OC.c1cc(CCOC2CCCCC2N2CCOCC2)c2ccsc2c1.c1ccc2c(CCOC3CCCCC3N3CCCC3)cccc2c1.c1ccc2c(CCOC3CCCCC3N3CCOCC3)csc2c1
InChIInChI=1S/C22H29NO.C20H31NO4.2C20H27NO2S.2C18H26BrNO2/c1-2-11-20-18(8-1)9-7-10-19(20)14-17-24-22-13-4-3-12-21(22)23-15-5-6-16-23;1-22-19-8-7-16(15-20(19)23-2)9-12-25-18-6-4-3-5-17(18)21-10-13-24-14-11-21;1-4-8-20-17(5-1)16(15-24-20)9-12-23-19-7-3-2-6-18(19)21-10-13-22-14-11-21;1-2-6-19(18(5-1)21-10-13-22-14-11-21)23-12-8-16-4-3-7-20-17(16)9-15-24-20;19-16-5-3-4-15(14-16)8-11-22-18-7-2-1-6-17(18)20-9-12-21-13-10-20;19-16-6-2-1-5-15(16)9-12-22-18-8-4-3-7-17(18)20-10-13-21-14-11-20/h1-2,7-11,21-22H,3-6,12-17H2;7-8,15,17-18H,3-6,9-14H2,1-2H3;1,4-5,8,15,18-19H,2-3,6-7,9-14H2;3-4,7,9,15,18-19H,1-2,5-6,8,10-14H2;3-5,14,17-18H,1-2,6-13H2;1-2,5-6,17-18H,3-4,7-14H2
InChIKeyFJVPANUKELKBLV-UHFFFAOYSA-N
XLogP23.22
TPSA139.43 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds32
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002100.60
LogP ≤ 523.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 4-[2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(1-benzothiophen-4-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(2-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine;1-[2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(1-benzothiophen-4-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(2-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine;1-[2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidine?
The IUPAC name of 4-[2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(1-benzothiophen-4-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(2-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine;1-[2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidine (CID 158054197) is 4-[2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(1-benzothiophen-4-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(2-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine;1-[2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidine.
What is the SMILES notation for 4-[2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(1-benzothiophen-4-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(2-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine;1-[2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidine?
The canonical SMILES for 4-[2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(1-benzothiophen-4-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(2-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine;1-[2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidine is Brc1cccc(CCOC2CCCCC2N2CCOCC2)c1.Brc1ccccc1CCOC1CCCCC1N1CCOCC1.COc1ccc(CCOC2CCCCC2N2CCOCC2)cc1OC.c1cc(CCOC2CCCCC2N2CCOCC2)c2ccsc2c1.c1ccc2c(CCOC3CCCCC3N3CCCC3)cccc2c1.c1ccc2c(CCOC3CCCCC3N3CCOCC3)csc2c1.
What is the InChIKey of 4-[2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(1-benzothiophen-4-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(2-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine;1-[2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidine?
The InChIKey is FJVPANUKELKBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO.C20H31NO4.2C20H27NO2S.2C18H26BrNO2/c1-2-11-20-18(8-1)9-7-10-19(20)14-17-24-22-13-4-3-12-21(22)23-15-5-6-16-23;1-22-19-8-7-16(15-20(19)23-2)9-12-25-18-6-4-3-5-17(18)21-10-13-24-14-11-21;1-4-8-20-17(5-1)16(15-24-20)9-12-23-19-7-3-2-6-18(19)21-10-13-22-14-11-21;1-2-6-19(18(5-1)21-10-13-22-14-11-21)23-12-8-16-4-3-7-20-17(16)9-15-24-20;19-16-5-3-4-15(14-16)8-11-22-18-7-2-1-6-17(18)20-9-12-21-13-10-20;19-16-6-2-1-5-15(16)9-12-22-18-8-4-3-7-17(18)20-10-13-21-14-11-20/h1-2,7-11,21-22H,3-6,12-17H2;7-8,15,17-18H,3-6,9-14H2,1-2H3;1,4-5,8,15,18-19H,2-3,6-7,9-14H2;3-4,7,9,15,18-19H,1-2,5-6,8,10-14H2;3-5,14,17-18H,1-2,6-13H2;1-2,5-6,17-18H,3-4,7-14H2.
What are the key properties of 4-[2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(1-benzothiophen-4-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(2-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine;1-[2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidine?
4-[2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(1-benzothiophen-4-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(2-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine;1-[2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidine has a molecular weight of 2100.60 g/mol, XLogP of 23.22, 32 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(1-benzothiophen-4-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(2-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine;1-[2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidine is sourced from PubChem (CID 158054197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).