3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-[5-chloro-3-(methylamino)-2,3-dihydro-1H-inden-1-yl]-1H-indole-5-carbonitrile;3-(5,6-difluoro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(6-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine;5-fluoro-N-methyl-3-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine;methane

C113H109BrCl2F5N13O2 — CID 158899124

IUPAC3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-[5-chloro-3-(methylamino)-2,3-dihydro-1H-inden-1-yl]-1H-indole-5-carbonitrile;3-(5,6-difluoro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(6-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine;5-fluoro-N-methyl-3-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine;methane
SMILESC.CNC1CC(c2c[nH]c3c(C)cccc23)c2cc(F)ccc21.CNC1CC(c2c[nH]c3cc(Br)ccc23)c2cc(F)ccc21.CNC1CC(c2c[nH]c3cc(F)c(F)cc23)c2ccc(OC)cc21.CNC1CC(c2c[nH]c3cc(F)ccc23)c2ccccc21.CNC1CC(c2c[nH]c3ccc(C#N)cc23)c2ccc(Cl)cc21.CNC1CC(c2c[nH]c3cccc(Cl)c23)c2ccc(OC)cc21
InChIInChI=1S/C19H16ClN3.C19H19ClN2O.C19H18F2N2O.C19H19FN2.C18H16BrFN2.C18H17FN2.CH4/c1-22-19-8-14(13-4-3-12(20)7-16(13)19)17-10-23-18-5-2-11(9-21)6-15(17)18;1-21-18-9-13(12-7-6-11(23-2)8-14(12)18)15-10-22-17-5-3-4-16(20)19(15)17;1-22-18-7-12(11-4-3-10(24-2)5-13(11)18)15-9-23-19-8-17(21)16(20)6-14(15)19;1-11-4-3-5-14-17(10-22-19(11)14)16-9-18(21-2)13-7-6-12(20)8-15(13)16;1-21-17-8-15(14-7-11(20)3-5-12(14)17)16-9-22-18-6-10(19)2-4-13(16)18;1-20-17-9-15(12-4-2-3-5-13(12)17)16-10-21-18-8-11(19)6-7-14(16)18;/h2-7,10,14,19,22-23H,8H2,1H3;3-8,10,13,18,21-22H,9H2,1-2H3;3-6,8-9,12,18,22-23H,7H2,1-2H3;3-8,10,16,18,21-22H,9H2,1-2H3;2-7,9,15,17,21-22H,8H2,1H3;2-8,10,15,17,20-21H,9H2,1H3;1H4
InChIKeyJFFBHVSQXPUCBA-UHFFFAOYSA-N
MW1927.00 g/mol
LogP27.38
Rot. Bonds14

About 3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-[5-chloro-3-(methylamino)-2,3-dihydro-1H-inden-1-yl]-1H-indole-5-carbonitrile;3-(5,6-difluoro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(6-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine;5-fluoro-N-methyl-3-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine;methane

3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-[5-chloro-3-(methylamino)-2,3-dihydro-1H-inden-1-yl]-1H-indole-5-carbonitrile;3-(5,6-difluoro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(6-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine;5-fluoro-N-methyl-3-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine;methane (PubChem CID 158899124) has the molecular formula C113H109BrCl2F5N13O2 and a molecular weight of 1927.00 g/mol. Its IUPAC name is 3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-[5-chloro-3-(methylamino)-2,3-dihydro-1H-inden-1-yl]-1H-indole-5-carbonitrile;3-(5,6-difluoro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(6-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine;5-fluoro-N-methyl-3-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine;methane.

Molecular Properties

Compound Name3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-[5-chloro-3-(methylamino)-2,3-dihydro-1H-inden-1-yl]-1H-indole-5-carbonitrile;3-(5,6-difluoro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(6-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine;5-fluoro-N-methyl-3-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine;methane
PubChem CID158899124
Molecular FormulaC113H109BrCl2F5N13O2
Molecular Weight1927.00 g/mol
Exact Mass1923.73
IUPAC Name3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-[5-chloro-3-(methylamino)-2,3-dihydro-1H-inden-1-yl]-1H-indole-5-carbonitrile;3-(5,6-difluoro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(6-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine;5-fluoro-N-methyl-3-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine;methane
SMILESC.CNC1CC(c2c[nH]c3c(C)cccc23)c2cc(F)ccc21.CNC1CC(c2c[nH]c3cc(Br)ccc23)c2cc(F)ccc21.CNC1CC(c2c[nH]c3cc(F)c(F)cc23)c2ccc(OC)cc21.CNC1CC(c2c[nH]c3cc(F)ccc23)c2ccccc21.CNC1CC(c2c[nH]c3ccc(C#N)cc23)c2ccc(Cl)cc21.CNC1CC(c2c[nH]c3cccc(Cl)c23)c2ccc(OC)cc21
InChIInChI=1S/C19H16ClN3.C19H19ClN2O.C19H18F2N2O.C19H19FN2.C18H16BrFN2.C18H17FN2.CH4/c1-22-19-8-14(13-4-3-12(20)7-16(13)19)17-10-23-18-5-2-11(9-21)6-15(17)18;1-21-18-9-13(12-7-6-11(23-2)8-14(12)18)15-10-22-17-5-3-4-16(20)19(15)17;1-22-18-7-12(11-4-3-10(24-2)5-13(11)18)15-9-23-19-8-17(21)16(20)6-14(15)19;1-11-4-3-5-14-17(10-22-19(11)14)16-9-18(21-2)13-7-6-12(20)8-15(13)16;1-21-17-8-15(14-7-11(20)3-5-12(14)17)16-9-22-18-6-10(19)2-4-13(16)18;1-20-17-9-15(12-4-2-3-5-13(12)17)16-10-21-18-8-11(19)6-7-14(16)18;/h2-7,10,14,19,22-23H,8H2,1H3;3-8,10,13,18,21-22H,9H2,1-2H3;3-6,8-9,12,18,22-23H,7H2,1-2H3;3-8,10,16,18,21-22H,9H2,1-2H3;2-7,9,15,17,21-22H,8H2,1H3;2-8,10,15,17,20-21H,9H2,1H3;1H4
InChIKeyJFFBHVSQXPUCBA-UHFFFAOYSA-N
XLogP27.38
TPSA209.17 Ų
H-Bond Donors12
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001927.00
LogP ≤ 527.38
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 109

Analyze 3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-[5-chloro-3-(methylamino)-2,3-dihydro-1H-inden-1-yl]-1H-indole-5-carbonitrile;3-(5,6-difluoro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(6-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine;5-fluoro-N-methyl-3-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine;methane with MolForge

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Launch Full Analysis

Related Compounds

3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-[5-chloro-3-(methylamino)-2,3-dihydro-1H-inden-1-yl]-1H-indole-5-carbonitrile;3-(5,6-difluoro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(6-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine;5-fluoro-N-methyl-3-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine
CID 157489208
3-(7-chloro-3H-inden-1-yl)-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(4,6-difluoro-1H-indol-3-yl)-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;4-[3-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]morpholine;methane;3-(5-methoxy-3H-inden-1-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(3-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)-1H-indole;3-(3-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)-1H-indole
CID 160248337
3-(4-chloro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine;6-chloro-3-(7-methoxy-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(5-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(5-fluoro-2-methyl-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine;(1S,3R)-3-(1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine;methane;3-(7-methoxy-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine;N-methyl-3-(1-methylindol-3-yl)-2,3-dihydro-1H-inden-1-amine;N-methyl-3-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine
CID 160870491
3-(4-chloro-1H-indol-3-yl)-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(4,6-difluoro-1H-indol-3-yl)-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(5-fluoro-1H-indol-3-yl)-N,5-dimethyl-2,3-dihydro-1H-inden-1-amine;4-[3-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]morpholine;methane;3-(5-methoxy-3H-inden-1-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(3-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)-1H-indole;3-(3-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)-1H-indole
CID 161750303

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-[5-chloro-3-(methylamino)-2,3-dihydro-1H-inden-1-yl]-1H-indole-5-carbonitrile;3-(5,6-difluoro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(6-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine;5-fluoro-N-methyl-3-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine;methane?
The IUPAC name of 3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-[5-chloro-3-(methylamino)-2,3-dihydro-1H-inden-1-yl]-1H-indole-5-carbonitrile;3-(5,6-difluoro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(6-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine;5-fluoro-N-methyl-3-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine;methane (CID 158899124) is 3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-[5-chloro-3-(methylamino)-2,3-dihydro-1H-inden-1-yl]-1H-indole-5-carbonitrile;3-(5,6-difluoro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(6-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine;5-fluoro-N-methyl-3-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine;methane.
What is the SMILES notation for 3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-[5-chloro-3-(methylamino)-2,3-dihydro-1H-inden-1-yl]-1H-indole-5-carbonitrile;3-(5,6-difluoro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(6-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine;5-fluoro-N-methyl-3-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine;methane?
The canonical SMILES for 3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-[5-chloro-3-(methylamino)-2,3-dihydro-1H-inden-1-yl]-1H-indole-5-carbonitrile;3-(5,6-difluoro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(6-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine;5-fluoro-N-methyl-3-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine;methane is C.CNC1CC(c2c[nH]c3c(C)cccc23)c2cc(F)ccc21.CNC1CC(c2c[nH]c3cc(Br)ccc23)c2cc(F)ccc21.CNC1CC(c2c[nH]c3cc(F)c(F)cc23)c2ccc(OC)cc21.CNC1CC(c2c[nH]c3cc(F)ccc23)c2ccccc21.CNC1CC(c2c[nH]c3ccc(C#N)cc23)c2ccc(Cl)cc21.CNC1CC(c2c[nH]c3cccc(Cl)c23)c2ccc(OC)cc21.
What is the InChIKey of 3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-[5-chloro-3-(methylamino)-2,3-dihydro-1H-inden-1-yl]-1H-indole-5-carbonitrile;3-(5,6-difluoro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(6-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine;5-fluoro-N-methyl-3-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine;methane?
The InChIKey is JFFBHVSQXPUCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3.C19H19ClN2O.C19H18F2N2O.C19H19FN2.C18H16BrFN2.C18H17FN2.CH4/c1-22-19-8-14(13-4-3-12(20)7-16(13)19)17-10-23-18-5-2-11(9-21)6-15(17)18;1-21-18-9-13(12-7-6-11(23-2)8-14(12)18)15-10-22-17-5-3-4-16(20)19(15)17;1-22-18-7-12(11-4-3-10(24-2)5-13(11)18)15-9-23-19-8-17(21)16(20)6-14(15)19;1-11-4-3-5-14-17(10-22-19(11)14)16-9-18(21-2)13-7-6-12(20)8-15(13)16;1-21-17-8-15(14-7-11(20)3-5-12(14)17)16-9-22-18-6-10(19)2-4-13(16)18;1-20-17-9-15(12-4-2-3-5-13(12)17)16-10-21-18-8-11(19)6-7-14(16)18;/h2-7,10,14,19,22-23H,8H2,1H3;3-8,10,13,18,21-22H,9H2,1-2H3;3-6,8-9,12,18,22-23H,7H2,1-2H3;3-8,10,16,18,21-22H,9H2,1-2H3;2-7,9,15,17,21-22H,8H2,1H3;2-8,10,15,17,20-21H,9H2,1H3;1H4.
What are the key properties of 3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-[5-chloro-3-(methylamino)-2,3-dihydro-1H-inden-1-yl]-1H-indole-5-carbonitrile;3-(5,6-difluoro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(6-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine;5-fluoro-N-methyl-3-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine;methane?
3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-[5-chloro-3-(methylamino)-2,3-dihydro-1H-inden-1-yl]-1H-indole-5-carbonitrile;3-(5,6-difluoro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(6-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine;5-fluoro-N-methyl-3-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine;methane has a molecular weight of 1927.00 g/mol, XLogP of 27.38, 14 rotatable bonds, 12 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-[5-chloro-3-(methylamino)-2,3-dihydro-1H-inden-1-yl]-1H-indole-5-carbonitrile;3-(5,6-difluoro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;3-(6-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine;5-fluoro-N-methyl-3-(7-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine;methane is sourced from PubChem (CID 158899124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).