3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine

C110H132F12N12O7S — CID 161471584

IUPAC3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine
SMILESCCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(Oc4cc(C)cc(OC)c4)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCCCC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCOCC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCSCC3)cc12
InChIInChI=1S/C34H40F3N3O3.C26H32F3N3O.C25H30F3N3O2.C25H30F3N3OS/c1-4-25-19-27(43-34(35,36)37)7-8-30(25)32-22-40(13-5-12-38)33-9-6-24(18-31(32)33)21-39-14-10-26(11-15-39)42-29-17-23(2)16-28(20-29)41-3;1-2-20-16-21(33-26(27,28)29)8-9-22(20)24-18-32(14-6-11-30)25-10-7-19(15-23(24)25)17-31-12-4-3-5-13-31;1-2-19-15-20(33-25(26,27)28)5-6-21(19)23-17-31(9-3-8-29)24-7-4-18(14-22(23)24)16-30-10-12-32-13-11-30;1-2-19-15-20(32-25(26,27)28)5-6-21(19)23-17-31(9-3-8-29)24-7-4-18(14-22(23)24)16-30-10-12-33-13-11-30/h6-9,16-20,22,26H,4-5,10-15,21,38H2,1-3H3;7-10,15-16,18H,2-6,11-14,17,30H2,1H3;2*4-7,14-15,17H,2-3,8-13,16,29H2,1H3
InChIKeyWDDUESVXTYTRQN-UHFFFAOYSA-N
MW1994.39 g/mol
LogP24.20
Rot. Bonds35

About 3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine

3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine (PubChem CID 161471584) has the molecular formula C110H132F12N12O7S and a molecular weight of 1994.39 g/mol. Its IUPAC name is 3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine
PubChem CID161471584
Molecular FormulaC110H132F12N12O7S
Molecular Weight1994.39 g/mol
Exact Mass1992.99
IUPAC Name3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine
SMILESCCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(Oc4cc(C)cc(OC)c4)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCCCC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCOCC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCSCC3)cc12
InChIInChI=1S/C34H40F3N3O3.C26H32F3N3O.C25H30F3N3O2.C25H30F3N3OS/c1-4-25-19-27(43-34(35,36)37)7-8-30(25)32-22-40(13-5-12-38)33-9-6-24(18-31(32)33)21-39-14-10-26(11-15-39)42-29-17-23(2)16-28(20-29)41-3;1-2-20-16-21(33-26(27,28)29)8-9-22(20)24-18-32(14-6-11-30)25-10-7-19(15-23(24)25)17-31-12-4-3-5-13-31;1-2-19-15-20(33-25(26,27)28)5-6-21(19)23-17-31(9-3-8-29)24-7-4-18(14-22(23)24)16-30-10-12-32-13-11-30;1-2-19-15-20(32-25(26,27)28)5-6-21(19)23-17-31(9-3-8-29)24-7-4-18(14-22(23)24)16-30-10-12-33-13-11-30/h6-9,16-20,22,26H,4-5,10-15,21,38H2,1-3H3;7-10,15-16,18H,2-6,11-14,17,30H2,1H3;2*4-7,14-15,17H,2-3,8-13,16,29H2,1H3
InChIKeyWDDUESVXTYTRQN-UHFFFAOYSA-N
XLogP24.20
TPSA201.37 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds35
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001994.39
LogP ≤ 524.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine?
The IUPAC name of 3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine (CID 161471584) is 3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine?
The canonical SMILES for 3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine is CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(Oc4cc(C)cc(OC)c4)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCCCC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCOCC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCSCC3)cc12.
What is the InChIKey of 3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine?
The InChIKey is WDDUESVXTYTRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40F3N3O3.C26H32F3N3O.C25H30F3N3O2.C25H30F3N3OS/c1-4-25-19-27(43-34(35,36)37)7-8-30(25)32-22-40(13-5-12-38)33-9-6-24(18-31(32)33)21-39-14-10-26(11-15-39)42-29-17-23(2)16-28(20-29)41-3;1-2-20-16-21(33-26(27,28)29)8-9-22(20)24-18-32(14-6-11-30)25-10-7-19(15-23(24)25)17-31-12-4-3-5-13-31;1-2-19-15-20(33-25(26,27)28)5-6-21(19)23-17-31(9-3-8-29)24-7-4-18(14-22(23)24)16-30-10-12-32-13-11-30;1-2-19-15-20(32-25(26,27)28)5-6-21(19)23-17-31(9-3-8-29)24-7-4-18(14-22(23)24)16-30-10-12-33-13-11-30/h6-9,16-20,22,26H,4-5,10-15,21,38H2,1-3H3;7-10,15-16,18H,2-6,11-14,17,30H2,1H3;2*4-7,14-15,17H,2-3,8-13,16,29H2,1H3.
What are the key properties of 3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine?
3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine has a molecular weight of 1994.39 g/mol, XLogP of 24.20, 35 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine is sourced from PubChem (CID 161471584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).