5-chloro-1,3-dimethylindole;(2E)-5-chloro-2-ethylidene-1,3,3-trimethylindole;N,N-diethyl-4-[(E)-prop-1-enyl]aniline;bis(2,3-dimethylfuran);1,3-dimethylindole;2,3-dimethyl-1H-indole;N,N-dimethyl-4-[(E)-prop-1-enyl]aniline;2,4-dimethylpyridine;(2E)-2-ethylidene-1,3,3-trimethylindole;methane;5-methoxy-2,3-dimethyl-1H-indole;1-methoxy-4-[(E)-prop-1-enyl]benzene;2-(5-methyl-2,3-dihydroindol-1-yl)ethynamine;2-methylfuran;3-methyl-1H-indole;2-methyl-5-(methylperoxymethyl)furan;1-methyl-4-prop-1-enylbenzene;2-methylpyridine;4-methylpyridine;2-methylthiophene;prop-1-enylbenzene;1,2,3,5-tetramethyl-2,3-dihydroindole;2,3,4,5-tetramethylthiophene;1,2,5-trimethyl-2,3-dihydroindole;bis(1,2,3-trimethylindole)

C242H302Cl2N18O8S2 — CID 157438927

IUPAC5-chloro-1,3-dimethylindole;(2E)-5-chloro-2-ethylidene-1,3,3-trimethylindole;N,N-diethyl-4-[(E)-prop-1-enyl]aniline;bis(2,3-dimethylfuran);1,3-dimethylindole;2,3-dimethyl-1H-indole;N,N-dimethyl-4-[(E)-prop-1-enyl]aniline;2,4-dimethylpyridine;(2E)-2-ethylidene-1,3,3-trimethylindole;methane;5-methoxy-2,3-dimethyl-1H-indole;1-methoxy-4-[(E)-prop-1-enyl]benzene;2-(5-methyl-2,3-dihydroindol-1-yl)ethynamine;2-methylfuran;3-methyl-1H-indole;2-methyl-5-(methylperoxymethyl)furan;1-methyl-4-prop-1-enylbenzene;2-methylpyridine;4-methylpyridine;2-methylthiophene;prop-1-enylbenzene;1,2,3,5-tetramethyl-2,3-dihydroindole;2,3,4,5-tetramethylthiophene;1,2,5-trimethyl-2,3-dihydroindole;bis(1,2,3-trimethylindole)
SMILESC.C/C=C/c1ccc(N(C)C)cc1.C/C=C/c1ccc(N(CC)CC)cc1.C/C=C/c1ccc(OC)cc1.C/C=C1/N(C)c2ccc(Cl)cc2C1(C)C.C/C=C1/N(C)c2ccccc2C1(C)C.CC=Cc1ccc(C)cc1.CC=Cc1ccccc1.COOCc1ccc(C)o1.COc1ccc2[nH]c(C)c(C)c2c1.Cc1[nH]c2ccccc2c1C.Cc1c(C)n(C)c2ccccc12.Cc1c(C)n(C)c2ccccc12.Cc1c[nH]c2ccccc12.Cc1ccc2c(c1)C(C)C(C)N2C.Cc1ccc2c(c1)CC(C)N2C.Cc1ccc2c(c1)CCN2C#CN.Cc1ccccn1.Cc1ccco1.Cc1cccs1.Cc1ccnc(C)c1.Cc1ccncc1.Cc1ccoc1C.Cc1ccoc1C.Cc1cn(C)c2ccc(Cl)cc12.Cc1cn(C)c2ccccc12.Cc1sc(C)c(C)c1C
InChIInChI=1S/C13H16ClN.C13H17N.C13H19N.C12H17N.C11H12N2.C11H13NO.C11H15N.2C11H13N.C11H15N.C10H10ClN.2C10H11N.C10H12O.C10H12.C9H9N.C9H10.C8H12S.C7H9N.C7H10O3.2C6H7N.2C6H8O.C5H6O.C5H6S.CH4/c1-5-12-13(2,3)10-8-9(14)6-7-11(10)15(12)4;1-5-12-13(2,3)10-8-6-7-9-11(10)14(12)4;1-4-7-12-8-10-13(11-9-12)14(5-2)6-3;1-8-5-6-12-11(7-8)9(2)10(3)13(12)4;1-9-2-3-11-10(8-9)4-6-13(11)7-5-12;1-7-8(2)12-11-5-4-9(13-3)6-10(7)11;1-8-4-5-11-10(6-8)7-9(2)12(11)3;2*1-8-9(2)12(3)11-7-5-4-6-10(8)11;1-4-5-10-6-8-11(9-7-10)12(2)3;1-7-6-12(2)10-4-3-8(11)5-9(7)10;1-8-7-11(2)10-6-4-3-5-9(8)10;1-7-8(2)11-10-6-4-3-5-9(7)10;1-3-4-9-5-7-10(11-2)8-6-9;1-3-4-10-7-5-9(2)6-8-10;1-7-6-10-9-5-3-2-4-8(7)9;1-2-6-9-7-4-3-5-8-9;1-5-6(2)8(4)9-7(5)3;1-6-3-4-8-7(2)5-6;1-6-3-4-7(10-6)5-9-8-2;1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6;2*1-5-3-4-7-6(5)2;2*1-5-3-2-4-6-5;/h5-8H,1-4H3;5-9H,1-4H3;4,7-11H,5-6H2,1-3H3;5-7,9-10H,1-4H3;2-3,8H,4,6,12H2,1H3;4-6,12H,1-3H3;4-6,9H,7H2,1-3H3;2*4-7H,1-3H3;4-9H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;3-6,11H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;2-6,10H,1H3;2-8H,1H3;1-4H3;3-5H,1-2H3;3-4H,5H2,1-2H3;2*2-5H,1H3;2*3-4H,1-2H3;2*2-4H,1H3;1H4/b2*12-5+;7-4+;;;;;;;5-4+;;;;4-3+;;;;;;;;;;;;;
InChIKeyBRKYAYJZIZODIK-NPPVIOHKSA-N
MW3726.24 g/mol
LogP65.14
Rot. Bonds14

About 5-chloro-1,3-dimethylindole;(2E)-5-chloro-2-ethylidene-1,3,3-trimethylindole;N,N-diethyl-4-[(E)-prop-1-enyl]aniline;bis(2,3-dimethylfuran);1,3-dimethylindole;2,3-dimethyl-1H-indole;N,N-dimethyl-4-[(E)-prop-1-enyl]aniline;2,4-dimethylpyridine;(2E)-2-ethylidene-1,3,3-trimethylindole;methane;5-methoxy-2,3-dimethyl-1H-indole;1-methoxy-4-[(E)-prop-1-enyl]benzene;2-(5-methyl-2,3-dihydroindol-1-yl)ethynamine;2-methylfuran;3-methyl-1H-indole;2-methyl-5-(methylperoxymethyl)furan;1-methyl-4-prop-1-enylbenzene;2-methylpyridine;4-methylpyridine;2-methylthiophene;prop-1-enylbenzene;1,2,3,5-tetramethyl-2,3-dihydroindole;2,3,4,5-tetramethylthiophene;1,2,5-trimethyl-2,3-dihydroindole;bis(1,2,3-trimethylindole)

5-chloro-1,3-dimethylindole;(2E)-5-chloro-2-ethylidene-1,3,3-trimethylindole;N,N-diethyl-4-[(E)-prop-1-enyl]aniline;bis(2,3-dimethylfuran);1,3-dimethylindole;2,3-dimethyl-1H-indole;N,N-dimethyl-4-[(E)-prop-1-enyl]aniline;2,4-dimethylpyridine;(2E)-2-ethylidene-1,3,3-trimethylindole;methane;5-methoxy-2,3-dimethyl-1H-indole;1-methoxy-4-[(E)-prop-1-enyl]benzene;2-(5-methyl-2,3-dihydroindol-1-yl)ethynamine;2-methylfuran;3-methyl-1H-indole;2-methyl-5-(methylperoxymethyl)furan;1-methyl-4-prop-1-enylbenzene;2-methylpyridine;4-methylpyridine;2-methylthiophene;prop-1-enylbenzene;1,2,3,5-tetramethyl-2,3-dihydroindole;2,3,4,5-tetramethylthiophene;1,2,5-trimethyl-2,3-dihydroindole;bis(1,2,3-trimethylindole) (PubChem CID 157438927) has the molecular formula C242H302Cl2N18O8S2 and a molecular weight of 3726.24 g/mol. Its IUPAC name is 5-chloro-1,3-dimethylindole;(2E)-5-chloro-2-ethylidene-1,3,3-trimethylindole;N,N-diethyl-4-[(E)-prop-1-enyl]aniline;bis(2,3-dimethylfuran);1,3-dimethylindole;2,3-dimethyl-1H-indole;N,N-dimethyl-4-[(E)-prop-1-enyl]aniline;2,4-dimethylpyridine;(2E)-2-ethylidene-1,3,3-trimethylindole;methane;5-methoxy-2,3-dimethyl-1H-indole;1-methoxy-4-[(E)-prop-1-enyl]benzene;2-(5-methyl-2,3-dihydroindol-1-yl)ethynamine;2-methylfuran;3-methyl-1H-indole;2-methyl-5-(methylperoxymethyl)furan;1-methyl-4-prop-1-enylbenzene;2-methylpyridine;4-methylpyridine;2-methylthiophene;prop-1-enylbenzene;1,2,3,5-tetramethyl-2,3-dihydroindole;2,3,4,5-tetramethylthiophene;1,2,5-trimethyl-2,3-dihydroindole;bis(1,2,3-trimethylindole).

Molecular Properties

Compound Name5-chloro-1,3-dimethylindole;(2E)-5-chloro-2-ethylidene-1,3,3-trimethylindole;N,N-diethyl-4-[(E)-prop-1-enyl]aniline;bis(2,3-dimethylfuran);1,3-dimethylindole;2,3-dimethyl-1H-indole;N,N-dimethyl-4-[(E)-prop-1-enyl]aniline;2,4-dimethylpyridine;(2E)-2-ethylidene-1,3,3-trimethylindole;methane;5-methoxy-2,3-dimethyl-1H-indole;1-methoxy-4-[(E)-prop-1-enyl]benzene;2-(5-methyl-2,3-dihydroindol-1-yl)ethynamine;2-methylfuran;3-methyl-1H-indole;2-methyl-5-(methylperoxymethyl)furan;1-methyl-4-prop-1-enylbenzene;2-methylpyridine;4-methylpyridine;2-methylthiophene;prop-1-enylbenzene;1,2,3,5-tetramethyl-2,3-dihydroindole;2,3,4,5-tetramethylthiophene;1,2,5-trimethyl-2,3-dihydroindole;bis(1,2,3-trimethylindole)
PubChem CID157438927
Molecular FormulaC242H302Cl2N18O8S2
Molecular Weight3726.24 g/mol
Exact Mass3722.26
IUPAC Name5-chloro-1,3-dimethylindole;(2E)-5-chloro-2-ethylidene-1,3,3-trimethylindole;N,N-diethyl-4-[(E)-prop-1-enyl]aniline;bis(2,3-dimethylfuran);1,3-dimethylindole;2,3-dimethyl-1H-indole;N,N-dimethyl-4-[(E)-prop-1-enyl]aniline;2,4-dimethylpyridine;(2E)-2-ethylidene-1,3,3-trimethylindole;methane;5-methoxy-2,3-dimethyl-1H-indole;1-methoxy-4-[(E)-prop-1-enyl]benzene;2-(5-methyl-2,3-dihydroindol-1-yl)ethynamine;2-methylfuran;3-methyl-1H-indole;2-methyl-5-(methylperoxymethyl)furan;1-methyl-4-prop-1-enylbenzene;2-methylpyridine;4-methylpyridine;2-methylthiophene;prop-1-enylbenzene;1,2,3,5-tetramethyl-2,3-dihydroindole;2,3,4,5-tetramethylthiophene;1,2,5-trimethyl-2,3-dihydroindole;bis(1,2,3-trimethylindole)
SMILESC.C/C=C/c1ccc(N(C)C)cc1.C/C=C/c1ccc(N(CC)CC)cc1.C/C=C/c1ccc(OC)cc1.C/C=C1/N(C)c2ccc(Cl)cc2C1(C)C.C/C=C1/N(C)c2ccccc2C1(C)C.CC=Cc1ccc(C)cc1.CC=Cc1ccccc1.COOCc1ccc(C)o1.COc1ccc2[nH]c(C)c(C)c2c1.Cc1[nH]c2ccccc2c1C.Cc1c(C)n(C)c2ccccc12.Cc1c(C)n(C)c2ccccc12.Cc1c[nH]c2ccccc12.Cc1ccc2c(c1)C(C)C(C)N2C.Cc1ccc2c(c1)CC(C)N2C.Cc1ccc2c(c1)CCN2C#CN.Cc1ccccn1.Cc1ccco1.Cc1cccs1.Cc1ccnc(C)c1.Cc1ccncc1.Cc1ccoc1C.Cc1ccoc1C.Cc1cn(C)c2ccc(Cl)cc12.Cc1cn(C)c2ccccc12.Cc1sc(C)c(C)c1C
InChIInChI=1S/C13H16ClN.C13H17N.C13H19N.C12H17N.C11H12N2.C11H13NO.C11H15N.2C11H13N.C11H15N.C10H10ClN.2C10H11N.C10H12O.C10H12.C9H9N.C9H10.C8H12S.C7H9N.C7H10O3.2C6H7N.2C6H8O.C5H6O.C5H6S.CH4/c1-5-12-13(2,3)10-8-9(14)6-7-11(10)15(12)4;1-5-12-13(2,3)10-8-6-7-9-11(10)14(12)4;1-4-7-12-8-10-13(11-9-12)14(5-2)6-3;1-8-5-6-12-11(7-8)9(2)10(3)13(12)4;1-9-2-3-11-10(8-9)4-6-13(11)7-5-12;1-7-8(2)12-11-5-4-9(13-3)6-10(7)11;1-8-4-5-11-10(6-8)7-9(2)12(11)3;2*1-8-9(2)12(3)11-7-5-4-6-10(8)11;1-4-5-10-6-8-11(9-7-10)12(2)3;1-7-6-12(2)10-4-3-8(11)5-9(7)10;1-8-7-11(2)10-6-4-3-5-9(8)10;1-7-8(2)11-10-6-4-3-5-9(7)10;1-3-4-9-5-7-10(11-2)8-6-9;1-3-4-10-7-5-9(2)6-8-10;1-7-6-10-9-5-3-2-4-8(7)9;1-2-6-9-7-4-3-5-8-9;1-5-6(2)8(4)9-7(5)3;1-6-3-4-8-7(2)5-6;1-6-3-4-7(10-6)5-9-8-2;1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6;2*1-5-3-4-7-6(5)2;2*1-5-3-2-4-6-5;/h5-8H,1-4H3;5-9H,1-4H3;4,7-11H,5-6H2,1-3H3;5-7,9-10H,1-4H3;2-3,8H,4,6,12H2,1H3;4-6,12H,1-3H3;4-6,9H,7H2,1-3H3;2*4-7H,1-3H3;4-9H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;3-6,11H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;2-6,10H,1H3;2-8H,1H3;1-4H3;3-5H,1-2H3;3-4H,5H2,1-2H3;2*2-5H,1H3;2*3-4H,1-2H3;2*2-4H,1H3;1H4/b2*12-5+;7-4+;;;;;;;5-4+;;;;4-3+;;;;;;;;;;;;;
InChIKeyBRKYAYJZIZODIK-NPPVIOHKSA-N
XLogP65.14
TPSA243.94 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds14
Heavy Atoms272
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003726.24
LogP ≤ 565.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 5-chloro-1,3-dimethylindole;(2E)-5-chloro-2-ethylidene-1,3,3-trimethylindole;N,N-diethyl-4-[(E)-prop-1-enyl]aniline;bis(2,3-dimethylfuran);1,3-dimethylindole;2,3-dimethyl-1H-indole;N,N-dimethyl-4-[(E)-prop-1-enyl]aniline;2,4-dimethylpyridine;(2E)-2-ethylidene-1,3,3-trimethylindole;methane;5-methoxy-2,3-dimethyl-1H-indole;1-methoxy-4-[(E)-prop-1-enyl]benzene;2-(5-methyl-2,3-dihydroindol-1-yl)ethynamine;2-methylfuran;3-methyl-1H-indole;2-methyl-5-(methylperoxymethyl)furan;1-methyl-4-prop-1-enylbenzene;2-methylpyridine;4-methylpyridine;2-methylthiophene;prop-1-enylbenzene;1,2,3,5-tetramethyl-2,3-dihydroindole;2,3,4,5-tetramethylthiophene;1,2,5-trimethyl-2,3-dihydroindole;bis(1,2,3-trimethylindole) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethylindole;(2E)-5-chloro-2-ethylidene-1,3,3-trimethylindole;N,N-diethyl-4-[(E)-prop-1-enyl]aniline;bis(2,3-dimethylfuran);1,3-dimethylindole;2,3-dimethyl-1H-indole;N,N-dimethyl-4-[(E)-prop-1-enyl]aniline;2,4-dimethylpyridine;(2E)-2-ethylidene-1,3,3-trimethylindole;methane;5-methoxy-2,3-dimethyl-1H-indole;1-methoxy-4-[(E)-prop-1-enyl]benzene;2-(5-methyl-2,3-dihydroindol-1-yl)ethynamine;2-methylfuran;3-methyl-1H-indole;2-methyl-5-(methylperoxymethyl)furan;1-methyl-4-prop-1-enylbenzene;2-methylpyridine;4-methylpyridine;2-methylthiophene;prop-1-enylbenzene;1,2,3,5-tetramethyl-2,3-dihydroindole;2,3,4,5-tetramethylthiophene;1,2,5-trimethyl-2,3-dihydroindole;bis(1,2,3-trimethylindole)?
The IUPAC name of 5-chloro-1,3-dimethylindole;(2E)-5-chloro-2-ethylidene-1,3,3-trimethylindole;N,N-diethyl-4-[(E)-prop-1-enyl]aniline;bis(2,3-dimethylfuran);1,3-dimethylindole;2,3-dimethyl-1H-indole;N,N-dimethyl-4-[(E)-prop-1-enyl]aniline;2,4-dimethylpyridine;(2E)-2-ethylidene-1,3,3-trimethylindole;methane;5-methoxy-2,3-dimethyl-1H-indole;1-methoxy-4-[(E)-prop-1-enyl]benzene;2-(5-methyl-2,3-dihydroindol-1-yl)ethynamine;2-methylfuran;3-methyl-1H-indole;2-methyl-5-(methylperoxymethyl)furan;1-methyl-4-prop-1-enylbenzene;2-methylpyridine;4-methylpyridine;2-methylthiophene;prop-1-enylbenzene;1,2,3,5-tetramethyl-2,3-dihydroindole;2,3,4,5-tetramethylthiophene;1,2,5-trimethyl-2,3-dihydroindole;bis(1,2,3-trimethylindole) (CID 157438927) is 5-chloro-1,3-dimethylindole;(2E)-5-chloro-2-ethylidene-1,3,3-trimethylindole;N,N-diethyl-4-[(E)-prop-1-enyl]aniline;bis(2,3-dimethylfuran);1,3-dimethylindole;2,3-dimethyl-1H-indole;N,N-dimethyl-4-[(E)-prop-1-enyl]aniline;2,4-dimethylpyridine;(2E)-2-ethylidene-1,3,3-trimethylindole;methane;5-methoxy-2,3-dimethyl-1H-indole;1-methoxy-4-[(E)-prop-1-enyl]benzene;2-(5-methyl-2,3-dihydroindol-1-yl)ethynamine;2-methylfuran;3-methyl-1H-indole;2-methyl-5-(methylperoxymethyl)furan;1-methyl-4-prop-1-enylbenzene;2-methylpyridine;4-methylpyridine;2-methylthiophene;prop-1-enylbenzene;1,2,3,5-tetramethyl-2,3-dihydroindole;2,3,4,5-tetramethylthiophene;1,2,5-trimethyl-2,3-dihydroindole;bis(1,2,3-trimethylindole).
What is the SMILES notation for 5-chloro-1,3-dimethylindole;(2E)-5-chloro-2-ethylidene-1,3,3-trimethylindole;N,N-diethyl-4-[(E)-prop-1-enyl]aniline;bis(2,3-dimethylfuran);1,3-dimethylindole;2,3-dimethyl-1H-indole;N,N-dimethyl-4-[(E)-prop-1-enyl]aniline;2,4-dimethylpyridine;(2E)-2-ethylidene-1,3,3-trimethylindole;methane;5-methoxy-2,3-dimethyl-1H-indole;1-methoxy-4-[(E)-prop-1-enyl]benzene;2-(5-methyl-2,3-dihydroindol-1-yl)ethynamine;2-methylfuran;3-methyl-1H-indole;2-methyl-5-(methylperoxymethyl)furan;1-methyl-4-prop-1-enylbenzene;2-methylpyridine;4-methylpyridine;2-methylthiophene;prop-1-enylbenzene;1,2,3,5-tetramethyl-2,3-dihydroindole;2,3,4,5-tetramethylthiophene;1,2,5-trimethyl-2,3-dihydroindole;bis(1,2,3-trimethylindole)?
The canonical SMILES for 5-chloro-1,3-dimethylindole;(2E)-5-chloro-2-ethylidene-1,3,3-trimethylindole;N,N-diethyl-4-[(E)-prop-1-enyl]aniline;bis(2,3-dimethylfuran);1,3-dimethylindole;2,3-dimethyl-1H-indole;N,N-dimethyl-4-[(E)-prop-1-enyl]aniline;2,4-dimethylpyridine;(2E)-2-ethylidene-1,3,3-trimethylindole;methane;5-methoxy-2,3-dimethyl-1H-indole;1-methoxy-4-[(E)-prop-1-enyl]benzene;2-(5-methyl-2,3-dihydroindol-1-yl)ethynamine;2-methylfuran;3-methyl-1H-indole;2-methyl-5-(methylperoxymethyl)furan;1-methyl-4-prop-1-enylbenzene;2-methylpyridine;4-methylpyridine;2-methylthiophene;prop-1-enylbenzene;1,2,3,5-tetramethyl-2,3-dihydroindole;2,3,4,5-tetramethylthiophene;1,2,5-trimethyl-2,3-dihydroindole;bis(1,2,3-trimethylindole) is C.C/C=C/c1ccc(N(C)C)cc1.C/C=C/c1ccc(N(CC)CC)cc1.C/C=C/c1ccc(OC)cc1.C/C=C1/N(C)c2ccc(Cl)cc2C1(C)C.C/C=C1/N(C)c2ccccc2C1(C)C.CC=Cc1ccc(C)cc1.CC=Cc1ccccc1.COOCc1ccc(C)o1.COc1ccc2[nH]c(C)c(C)c2c1.Cc1[nH]c2ccccc2c1C.Cc1c(C)n(C)c2ccccc12.Cc1c(C)n(C)c2ccccc12.Cc1c[nH]c2ccccc12.Cc1ccc2c(c1)C(C)C(C)N2C.Cc1ccc2c(c1)CC(C)N2C.Cc1ccc2c(c1)CCN2C#CN.Cc1ccccn1.Cc1ccco1.Cc1cccs1.Cc1ccnc(C)c1.Cc1ccncc1.Cc1ccoc1C.Cc1ccoc1C.Cc1cn(C)c2ccc(Cl)cc12.Cc1cn(C)c2ccccc12.Cc1sc(C)c(C)c1C.
What is the InChIKey of 5-chloro-1,3-dimethylindole;(2E)-5-chloro-2-ethylidene-1,3,3-trimethylindole;N,N-diethyl-4-[(E)-prop-1-enyl]aniline;bis(2,3-dimethylfuran);1,3-dimethylindole;2,3-dimethyl-1H-indole;N,N-dimethyl-4-[(E)-prop-1-enyl]aniline;2,4-dimethylpyridine;(2E)-2-ethylidene-1,3,3-trimethylindole;methane;5-methoxy-2,3-dimethyl-1H-indole;1-methoxy-4-[(E)-prop-1-enyl]benzene;2-(5-methyl-2,3-dihydroindol-1-yl)ethynamine;2-methylfuran;3-methyl-1H-indole;2-methyl-5-(methylperoxymethyl)furan;1-methyl-4-prop-1-enylbenzene;2-methylpyridine;4-methylpyridine;2-methylthiophene;prop-1-enylbenzene;1,2,3,5-tetramethyl-2,3-dihydroindole;2,3,4,5-tetramethylthiophene;1,2,5-trimethyl-2,3-dihydroindole;bis(1,2,3-trimethylindole)?
The InChIKey is BRKYAYJZIZODIK-NPPVIOHKSA-N. The full InChI is InChI=1S/C13H16ClN.C13H17N.C13H19N.C12H17N.C11H12N2.C11H13NO.C11H15N.2C11H13N.C11H15N.C10H10ClN.2C10H11N.C10H12O.C10H12.C9H9N.C9H10.C8H12S.C7H9N.C7H10O3.2C6H7N.2C6H8O.C5H6O.C5H6S.CH4/c1-5-12-13(2,3)10-8-9(14)6-7-11(10)15(12)4;1-5-12-13(2,3)10-8-6-7-9-11(10)14(12)4;1-4-7-12-8-10-13(11-9-12)14(5-2)6-3;1-8-5-6-12-11(7-8)9(2)10(3)13(12)4;1-9-2-3-11-10(8-9)4-6-13(11)7-5-12;1-7-8(2)12-11-5-4-9(13-3)6-10(7)11;1-8-4-5-11-10(6-8)7-9(2)12(11)3;2*1-8-9(2)12(3)11-7-5-4-6-10(8)11;1-4-5-10-6-8-11(9-7-10)12(2)3;1-7-6-12(2)10-4-3-8(11)5-9(7)10;1-8-7-11(2)10-6-4-3-5-9(8)10;1-7-8(2)11-10-6-4-3-5-9(7)10;1-3-4-9-5-7-10(11-2)8-6-9;1-3-4-10-7-5-9(2)6-8-10;1-7-6-10-9-5-3-2-4-8(7)9;1-2-6-9-7-4-3-5-8-9;1-5-6(2)8(4)9-7(5)3;1-6-3-4-8-7(2)5-6;1-6-3-4-7(10-6)5-9-8-2;1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6;2*1-5-3-4-7-6(5)2;2*1-5-3-2-4-6-5;/h5-8H,1-4H3;5-9H,1-4H3;4,7-11H,5-6H2,1-3H3;5-7,9-10H,1-4H3;2-3,8H,4,6,12H2,1H3;4-6,12H,1-3H3;4-6,9H,7H2,1-3H3;2*4-7H,1-3H3;4-9H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;3-6,11H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;2-6,10H,1H3;2-8H,1H3;1-4H3;3-5H,1-2H3;3-4H,5H2,1-2H3;2*2-5H,1H3;2*3-4H,1-2H3;2*2-4H,1H3;1H4/b2*12-5+;7-4+;;;;;;;5-4+;;;;4-3+;;;;;;;;;;;;;.
What are the key properties of 5-chloro-1,3-dimethylindole;(2E)-5-chloro-2-ethylidene-1,3,3-trimethylindole;N,N-diethyl-4-[(E)-prop-1-enyl]aniline;bis(2,3-dimethylfuran);1,3-dimethylindole;2,3-dimethyl-1H-indole;N,N-dimethyl-4-[(E)-prop-1-enyl]aniline;2,4-dimethylpyridine;(2E)-2-ethylidene-1,3,3-trimethylindole;methane;5-methoxy-2,3-dimethyl-1H-indole;1-methoxy-4-[(E)-prop-1-enyl]benzene;2-(5-methyl-2,3-dihydroindol-1-yl)ethynamine;2-methylfuran;3-methyl-1H-indole;2-methyl-5-(methylperoxymethyl)furan;1-methyl-4-prop-1-enylbenzene;2-methylpyridine;4-methylpyridine;2-methylthiophene;prop-1-enylbenzene;1,2,3,5-tetramethyl-2,3-dihydroindole;2,3,4,5-tetramethylthiophene;1,2,5-trimethyl-2,3-dihydroindole;bis(1,2,3-trimethylindole)?
5-chloro-1,3-dimethylindole;(2E)-5-chloro-2-ethylidene-1,3,3-trimethylindole;N,N-diethyl-4-[(E)-prop-1-enyl]aniline;bis(2,3-dimethylfuran);1,3-dimethylindole;2,3-dimethyl-1H-indole;N,N-dimethyl-4-[(E)-prop-1-enyl]aniline;2,4-dimethylpyridine;(2E)-2-ethylidene-1,3,3-trimethylindole;methane;5-methoxy-2,3-dimethyl-1H-indole;1-methoxy-4-[(E)-prop-1-enyl]benzene;2-(5-methyl-2,3-dihydroindol-1-yl)ethynamine;2-methylfuran;3-methyl-1H-indole;2-methyl-5-(methylperoxymethyl)furan;1-methyl-4-prop-1-enylbenzene;2-methylpyridine;4-methylpyridine;2-methylthiophene;prop-1-enylbenzene;1,2,3,5-tetramethyl-2,3-dihydroindole;2,3,4,5-tetramethylthiophene;1,2,5-trimethyl-2,3-dihydroindole;bis(1,2,3-trimethylindole) has a molecular weight of 3726.24 g/mol, XLogP of 65.14, 14 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethylindole;(2E)-5-chloro-2-ethylidene-1,3,3-trimethylindole;N,N-diethyl-4-[(E)-prop-1-enyl]aniline;bis(2,3-dimethylfuran);1,3-dimethylindole;2,3-dimethyl-1H-indole;N,N-dimethyl-4-[(E)-prop-1-enyl]aniline;2,4-dimethylpyridine;(2E)-2-ethylidene-1,3,3-trimethylindole;methane;5-methoxy-2,3-dimethyl-1H-indole;1-methoxy-4-[(E)-prop-1-enyl]benzene;2-(5-methyl-2,3-dihydroindol-1-yl)ethynamine;2-methylfuran;3-methyl-1H-indole;2-methyl-5-(methylperoxymethyl)furan;1-methyl-4-prop-1-enylbenzene;2-methylpyridine;4-methylpyridine;2-methylthiophene;prop-1-enylbenzene;1,2,3,5-tetramethyl-2,3-dihydroindole;2,3,4,5-tetramethylthiophene;1,2,5-trimethyl-2,3-dihydroindole;bis(1,2,3-trimethylindole) is sourced from PubChem (CID 157438927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).