3-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N,N-dimethylpropan-1-amine;4-cyclopentylphenol;N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine;1H-indol-3-yl acetate;2-(1H-indol-3-yl)ethanamine;5-phenylmethoxy-1H-indole

C84H92ClN7O5 — CID 159638611

IUPAC3-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N,N-dimethylpropan-1-amine;4-cyclopentylphenol;N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine;1H-indol-3-yl acetate;2-(1H-indol-3-yl)ethanamine;5-phenylmethoxy-1H-indole
SMILESCC(=O)Oc1c[nH]c2ccccc12.CN(C)CCCC1c2ccccc2CCc2ccc(Cl)cc21.CN(C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12.NCCc1c[nH]c2ccccc12.Oc1ccc(C2CCCC2)cc1.c1ccc(COc2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C20H24ClN.C18H20N2O.C15H13NO.C11H14O.C10H12N2.C10H9NO2/c1-22(2)13-5-8-19-18-7-4-3-6-15(18)9-10-16-11-12-17(21)14-20(16)19;1-20(2)12-15-11-19-18-9-8-16(10-17(15)18)21-13-14-6-4-3-5-7-14;1-2-4-12(5-3-1)11-17-14-6-7-15-13(10-14)8-9-16-15;12-11-7-5-10(6-8-11)9-3-1-2-4-9;11-6-5-8-7-12-10-4-2-1-3-9(8)10;1-7(12)13-10-6-11-9-5-3-2-4-8(9)10/h3-4,6-7,11-12,14,19H,5,8-10,13H2,1-2H3;3-11,19H,12-13H2,1-2H3;1-10,16H,11H2;5-9,12H,1-4H2;1-4,7,12H,5-6,11H2;2-6,11H,1H3
InChIKeyMQBFLPPKNCALJW-UHFFFAOYSA-N
MW1315.16 g/mol
LogP19.28
Rot. Bonds16

About 3-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N,N-dimethylpropan-1-amine;4-cyclopentylphenol;N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine;1H-indol-3-yl acetate;2-(1H-indol-3-yl)ethanamine;5-phenylmethoxy-1H-indole

3-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N,N-dimethylpropan-1-amine;4-cyclopentylphenol;N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine;1H-indol-3-yl acetate;2-(1H-indol-3-yl)ethanamine;5-phenylmethoxy-1H-indole (PubChem CID 159638611) has the molecular formula C84H92ClN7O5 and a molecular weight of 1315.16 g/mol. Its IUPAC name is 3-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N,N-dimethylpropan-1-amine;4-cyclopentylphenol;N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine;1H-indol-3-yl acetate;2-(1H-indol-3-yl)ethanamine;5-phenylmethoxy-1H-indole.

Molecular Properties

Compound Name3-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N,N-dimethylpropan-1-amine;4-cyclopentylphenol;N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine;1H-indol-3-yl acetate;2-(1H-indol-3-yl)ethanamine;5-phenylmethoxy-1H-indole
PubChem CID159638611
Molecular FormulaC84H92ClN7O5
Molecular Weight1315.16 g/mol
Exact Mass1313.68
IUPAC Name3-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N,N-dimethylpropan-1-amine;4-cyclopentylphenol;N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine;1H-indol-3-yl acetate;2-(1H-indol-3-yl)ethanamine;5-phenylmethoxy-1H-indole
SMILESCC(=O)Oc1c[nH]c2ccccc12.CN(C)CCCC1c2ccccc2CCc2ccc(Cl)cc21.CN(C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12.NCCc1c[nH]c2ccccc12.Oc1ccc(C2CCCC2)cc1.c1ccc(COc2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C20H24ClN.C18H20N2O.C15H13NO.C11H14O.C10H12N2.C10H9NO2/c1-22(2)13-5-8-19-18-7-4-3-6-15(18)9-10-16-11-12-17(21)14-20(16)19;1-20(2)12-15-11-19-18-9-8-16(10-17(15)18)21-13-14-6-4-3-5-7-14;1-2-4-12(5-3-1)11-17-14-6-7-15-13(10-14)8-9-16-15;12-11-7-5-10(6-8-11)9-3-1-2-4-9;11-6-5-8-7-12-10-4-2-1-3-9(8)10;1-7(12)13-10-6-11-9-5-3-2-4-8(9)10/h3-4,6-7,11-12,14,19H,5,8-10,13H2,1-2H3;3-11,19H,12-13H2,1-2H3;1-10,16H,11H2;5-9,12H,1-4H2;1-4,7,12H,5-6,11H2;2-6,11H,1H3
InChIKeyMQBFLPPKNCALJW-UHFFFAOYSA-N
XLogP19.28
TPSA160.65 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001315.16
LogP ≤ 519.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 3-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N,N-dimethylpropan-1-amine;4-cyclopentylphenol;N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine;1H-indol-3-yl acetate;2-(1H-indol-3-yl)ethanamine;5-phenylmethoxy-1H-indole with MolForge

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Related Compounds

1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine;[3-[dimethylamino(phenyl)methyl]-1H-indol-4-yl] acetate;N,N-dimethyl-1-phenyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine
CID 159558167
3-(2-aminoethyl)-1H-indol-5-ol;[3-[2-[bis(prop-2-enyl)amino]ethyl]-1H-indol-4-yl] acetate;3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-ol;3-[2-(methylamino)ethyl]-1H-indol-5-ol;3-[2-[methyl(propyl)amino]ethyl]-1H-indol-5-ol
CID 161155172
5-methoxy-3-propan-2-yl-3H-indole;5-phenylmethoxy-3-propan-2-yl-1H-indole;7-phenylmethoxy-3-propan-2-yl-3H-indole;3-propan-2-yl-3H-indole;3-(3-propan-2-ylindol-1-yl)propanoic acid
CID 161341479
6-chloro-3-(3,3-dimethyl-1,2-dihydroinden-2-yl)-1H-indole;2-[5-(3,3-dimethyl-1,2-dihydroinden-2-yl)-1H-pyrrol-2-yl]-3,3-dimethylindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-methyl-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-[2-(3-methylphenoxy)ethyl]indole;2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(1H-indol-3-yl)-3,3-dimethylindole;2-(1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-7-ol;hydrochloride
CID 162091992

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N,N-dimethylpropan-1-amine;4-cyclopentylphenol;N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine;1H-indol-3-yl acetate;2-(1H-indol-3-yl)ethanamine;5-phenylmethoxy-1H-indole?
The IUPAC name of 3-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N,N-dimethylpropan-1-amine;4-cyclopentylphenol;N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine;1H-indol-3-yl acetate;2-(1H-indol-3-yl)ethanamine;5-phenylmethoxy-1H-indole (CID 159638611) is 3-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N,N-dimethylpropan-1-amine;4-cyclopentylphenol;N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine;1H-indol-3-yl acetate;2-(1H-indol-3-yl)ethanamine;5-phenylmethoxy-1H-indole.
What is the SMILES notation for 3-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N,N-dimethylpropan-1-amine;4-cyclopentylphenol;N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine;1H-indol-3-yl acetate;2-(1H-indol-3-yl)ethanamine;5-phenylmethoxy-1H-indole?
The canonical SMILES for 3-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N,N-dimethylpropan-1-amine;4-cyclopentylphenol;N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine;1H-indol-3-yl acetate;2-(1H-indol-3-yl)ethanamine;5-phenylmethoxy-1H-indole is CC(=O)Oc1c[nH]c2ccccc12.CN(C)CCCC1c2ccccc2CCc2ccc(Cl)cc21.CN(C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12.NCCc1c[nH]c2ccccc12.Oc1ccc(C2CCCC2)cc1.c1ccc(COc2ccc3[nH]ccc3c2)cc1.
What is the InChIKey of 3-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N,N-dimethylpropan-1-amine;4-cyclopentylphenol;N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine;1H-indol-3-yl acetate;2-(1H-indol-3-yl)ethanamine;5-phenylmethoxy-1H-indole?
The InChIKey is MQBFLPPKNCALJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN.C18H20N2O.C15H13NO.C11H14O.C10H12N2.C10H9NO2/c1-22(2)13-5-8-19-18-7-4-3-6-15(18)9-10-16-11-12-17(21)14-20(16)19;1-20(2)12-15-11-19-18-9-8-16(10-17(15)18)21-13-14-6-4-3-5-7-14;1-2-4-12(5-3-1)11-17-14-6-7-15-13(10-14)8-9-16-15;12-11-7-5-10(6-8-11)9-3-1-2-4-9;11-6-5-8-7-12-10-4-2-1-3-9(8)10;1-7(12)13-10-6-11-9-5-3-2-4-8(9)10/h3-4,6-7,11-12,14,19H,5,8-10,13H2,1-2H3;3-11,19H,12-13H2,1-2H3;1-10,16H,11H2;5-9,12H,1-4H2;1-4,7,12H,5-6,11H2;2-6,11H,1H3.
What are the key properties of 3-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N,N-dimethylpropan-1-amine;4-cyclopentylphenol;N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine;1H-indol-3-yl acetate;2-(1H-indol-3-yl)ethanamine;5-phenylmethoxy-1H-indole?
3-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N,N-dimethylpropan-1-amine;4-cyclopentylphenol;N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine;1H-indol-3-yl acetate;2-(1H-indol-3-yl)ethanamine;5-phenylmethoxy-1H-indole has a molecular weight of 1315.16 g/mol, XLogP of 19.28, 16 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N,N-dimethylpropan-1-amine;4-cyclopentylphenol;N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine;1H-indol-3-yl acetate;2-(1H-indol-3-yl)ethanamine;5-phenylmethoxy-1H-indole is sourced from PubChem (CID 159638611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).