4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;5-methoxy-3-propan-2-yl-1H-indole;7-methoxy-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole

C93H111ClF2N8O2 — CID 161239687

IUPAC4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;5-methoxy-3-propan-2-yl-1H-indole;7-methoxy-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole
SMILESCC(C)c1c[nH]c2c(F)cccc12.CC(C)c1c[nH]c2ccc(F)cc12.CC(C)c1c[nH]c2cccc(Cl)c12.COc1ccc2[nH]cc(C(C)C)c2c1.COc1cccc2c(C(C)C)c[nH]c12.Cc1[nH]c2ccccc2c1C(C)C.Cc1ccc2[nH]cc(C(C)C)c2c1.Cc1cccc2c(C(C)C)c[nH]c12
InChIInChI=1S/2C12H15NO.3C12H15N.C11H12ClN.2C11H12FN/c1-8(2)11-7-13-12-5-4-9(14-3)6-10(11)12;1-8(2)10-7-13-12-9(10)5-4-6-11(12)14-3;1-8(2)11-7-13-12-5-4-9(3)6-10(11)12;1-8(2)11-7-13-12-9(3)5-4-6-10(11)12;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;1-7(2)8-6-13-10-5-3-4-9(12)11(8)10;1-7(2)10-6-13-11-4-3-8(12)5-9(10)11;1-7(2)9-6-13-11-8(9)4-3-5-10(11)12/h2*4-8,13H,1-3H3;3*4-8,13H,1-3H3;3*3-7,13H,1-2H3
InChIKeyUZVIORIVNHEHIW-UHFFFAOYSA-N
MW1446.41 g/mol
LogP28.20
Rot. Bonds10

About 4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;5-methoxy-3-propan-2-yl-1H-indole;7-methoxy-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole

4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;5-methoxy-3-propan-2-yl-1H-indole;7-methoxy-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole (PubChem CID 161239687) has the molecular formula C93H111ClF2N8O2 and a molecular weight of 1446.41 g/mol. Its IUPAC name is 4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;5-methoxy-3-propan-2-yl-1H-indole;7-methoxy-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;5-methoxy-3-propan-2-yl-1H-indole;7-methoxy-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole
PubChem CID161239687
Molecular FormulaC93H111ClF2N8O2
Molecular Weight1446.41 g/mol
Exact Mass1444.85
IUPAC Name4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;5-methoxy-3-propan-2-yl-1H-indole;7-methoxy-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole
SMILESCC(C)c1c[nH]c2c(F)cccc12.CC(C)c1c[nH]c2ccc(F)cc12.CC(C)c1c[nH]c2cccc(Cl)c12.COc1ccc2[nH]cc(C(C)C)c2c1.COc1cccc2c(C(C)C)c[nH]c12.Cc1[nH]c2ccccc2c1C(C)C.Cc1ccc2[nH]cc(C(C)C)c2c1.Cc1cccc2c(C(C)C)c[nH]c12
InChIInChI=1S/2C12H15NO.3C12H15N.C11H12ClN.2C11H12FN/c1-8(2)11-7-13-12-5-4-9(14-3)6-10(11)12;1-8(2)10-7-13-12-9(10)5-4-6-11(12)14-3;1-8(2)11-7-13-12-5-4-9(3)6-10(11)12;1-8(2)11-7-13-12-9(3)5-4-6-10(11)12;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;1-7(2)8-6-13-10-5-3-4-9(12)11(8)10;1-7(2)10-6-13-11-4-3-8(12)5-9(10)11;1-7(2)9-6-13-11-8(9)4-3-5-10(11)12/h2*4-8,13H,1-3H3;3*4-8,13H,1-3H3;3*3-7,13H,1-2H3
InChIKeyUZVIORIVNHEHIW-UHFFFAOYSA-N
XLogP28.20
TPSA144.78 Ų
H-Bond Donors8
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001446.41
LogP ≤ 528.20
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;5-methoxy-3-propan-2-yl-1H-indole;7-methoxy-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole with MolForge

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Launch Full Analysis

Related Compounds

4-chloro-1-[2-[[11-[2-(dimethylamino)ethoxy]-4,9,15,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaen-17-yl]methyl-methylamino]ethoxy]-6-fluoro-9H-carbazol-2-amine
CID 169981720
4-chloro-1-[3-[[11-[2-(dimethylamino)ethoxy]-4,9,15,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaen-17-yl]methyl-methylamino]propyl]-6-fluoro-9H-carbazol-2-amine
CID 169982848
2-(6-chloro-5-methoxy-1H-indol-3-yl)-N-[(3-phenoxyphenyl)methyl]ethanamine;2-(6-fluoro-1H-indol-3-yl)-N-[(3-phenoxyphenyl)methyl]ethanamine
CID 69616967
N-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)-N',N'-dimethylpropane-1,3-diamine;N'-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)propane-1,3-diamine
CID 126738910
5-(5-methoxy-3-propan-2-yl-1H-indol-2-yl)-7-[(2-methyl-3-propan-2-yl-1H-indol-5-yl)methoxy]-3-propan-2-yl-1H-indole
CID 129306179
[1-[tert-butyl(dimethyl)silyl]-5-fluoroindol-4-yl]boronic acid;7-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;5,7-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-fluoro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
CID 157099945
2-(4-amino-7-methyl-1H-indol-3-yl)ethanol;3-(4-amino-7-methyl-1H-indol-3-yl)propan-1-ol;2,3-dimethyl-7-(2-pyrrol-1-ylethoxy)-1H-indol-4-amine;7-ethyl-1H-indol-4-amine;7-(2-methoxyethoxy)-2,3-dimethyl-1H-indol-4-amine;7-(2-methoxyethoxy)-1H-indol-4-amine;7-methyl-1H-indol-4-amine
CID 157310709
2-(4-amino-7-methyl-1H-indol-3-yl)ethanol;3-(4-amino-7-methyl-1H-indol-3-yl)propan-1-ol;7-ethyl-1H-indol-4-amine;7-(2-methoxyethoxy)-2,3-dimethyl-1H-indol-4-amine;7-methyl-1H-indol-4-amine
CID 157336830
N,N-diethyl-2-(5-methoxy-1H-indol-3-yl)ethanamine;N-ethyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propan-2-amine;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylpropan-1-amine;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylpropan-2-amine;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine
CID 157343308
2-(6-chloro-5-ethoxy-1H-indol-3-yl)ethanamine;2-(5-ethoxy-6-fluoro-1H-indol-3-yl)ethanamine;bis(7-ethoxy-3-propyl-1H-indole);bis(4-propoxy-3-propyl-1H-indole)
CID 157526998
5-decoxy-3-propyl-1H-indole;2-(5-dodecoxy-1H-indol-3-yl)ethanamine;5-dodecoxy-3-propyl-1H-indole;2-[5-(2-ethylhexoxy)-1H-indol-3-yl]ethanamine;2-(5-hexadecoxy-1H-indol-3-yl)ethanamine;methane;3-propyl-5-tetradecoxy-1H-indole;2-(5-tetradecoxy-1H-indol-3-yl)ethanamine
CID 157817247
6-chloro-5-ethoxy-3-propyl-1H-indole;5-ethoxy-6-fluoro-3-propyl-1H-indole;tetrakis(7-ethoxy-3-propyl-1H-indole);bis(4-propoxy-3-propyl-1H-indole)
CID 157821539

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;5-methoxy-3-propan-2-yl-1H-indole;7-methoxy-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole?
The IUPAC name of 4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;5-methoxy-3-propan-2-yl-1H-indole;7-methoxy-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole (CID 161239687) is 4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;5-methoxy-3-propan-2-yl-1H-indole;7-methoxy-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole.
What is the SMILES notation for 4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;5-methoxy-3-propan-2-yl-1H-indole;7-methoxy-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole?
The canonical SMILES for 4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;5-methoxy-3-propan-2-yl-1H-indole;7-methoxy-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole is CC(C)c1c[nH]c2c(F)cccc12.CC(C)c1c[nH]c2ccc(F)cc12.CC(C)c1c[nH]c2cccc(Cl)c12.COc1ccc2[nH]cc(C(C)C)c2c1.COc1cccc2c(C(C)C)c[nH]c12.Cc1[nH]c2ccccc2c1C(C)C.Cc1ccc2[nH]cc(C(C)C)c2c1.Cc1cccc2c(C(C)C)c[nH]c12.
What is the InChIKey of 4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;5-methoxy-3-propan-2-yl-1H-indole;7-methoxy-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole?
The InChIKey is UZVIORIVNHEHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H15NO.3C12H15N.C11H12ClN.2C11H12FN/c1-8(2)11-7-13-12-5-4-9(14-3)6-10(11)12;1-8(2)10-7-13-12-9(10)5-4-6-11(12)14-3;1-8(2)11-7-13-12-5-4-9(3)6-10(11)12;1-8(2)11-7-13-12-9(3)5-4-6-10(11)12;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;1-7(2)8-6-13-10-5-3-4-9(12)11(8)10;1-7(2)10-6-13-11-4-3-8(12)5-9(10)11;1-7(2)9-6-13-11-8(9)4-3-5-10(11)12/h2*4-8,13H,1-3H3;3*4-8,13H,1-3H3;3*3-7,13H,1-2H3.
What are the key properties of 4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;5-methoxy-3-propan-2-yl-1H-indole;7-methoxy-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole?
4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;5-methoxy-3-propan-2-yl-1H-indole;7-methoxy-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole has a molecular weight of 1446.41 g/mol, XLogP of 28.20, 10 rotatable bonds, 8 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;5-methoxy-3-propan-2-yl-1H-indole;7-methoxy-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole is sourced from PubChem (CID 161239687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).