1-(2-aminopropyl)-4,5-difluoroindol-6-ol;1-(2-aminopropyl)-7-fluoroindol-6-ol;1-(2-aminopropyl)indol-7-ol;1-(2-aminopropyl)-4-methylindol-6-ol;(2S)-1-(6-chloroindol-1-yl)propan-2-amine;(2S)-1-(5-fluoroindol-1-yl)propan-2-amine;(2S)-1-(5-fluoro-6-methoxyindol-1-yl)propan-2-amine;(2S)-1-(6-methoxyindol-1-yl)propan-2-amine;(2S)-1-(7-methoxyindol-1-yl)propan-2-amine;(2S)-1-(6-methoxy-3-methylindol-1-yl)propan-2-amine

C116H146ClF5N20O8 — CID 173286007

IUPAC1-(2-aminopropyl)-4,5-difluoroindol-6-ol;1-(2-aminopropyl)-7-fluoroindol-6-ol;1-(2-aminopropyl)indol-7-ol;1-(2-aminopropyl)-4-methylindol-6-ol;(2S)-1-(6-chloroindol-1-yl)propan-2-amine;(2S)-1-(5-fluoroindol-1-yl)propan-2-amine;(2S)-1-(5-fluoro-6-methoxyindol-1-yl)propan-2-amine;(2S)-1-(6-methoxyindol-1-yl)propan-2-amine;(2S)-1-(7-methoxyindol-1-yl)propan-2-amine;(2S)-1-(6-methoxy-3-methylindol-1-yl)propan-2-amine
SMILESCC(N)Cn1ccc2c(F)c(F)c(O)cc21.CC(N)Cn1ccc2ccc(O)c(F)c21.CC(N)Cn1ccc2cccc(O)c21.COc1cc2c(ccn2C[C@H](C)N)cc1F.COc1ccc2c(C)cn(C[C@H](C)N)c2c1.COc1ccc2ccn(C[C@H](C)N)c2c1.COc1cccc2ccn(C[C@H](C)N)c12.C[C@H](N)Cn1ccc2cc(F)ccc21.C[C@H](N)Cn1ccc2ccc(Cl)cc21.Cc1cc(O)cc2c1ccn2CC(C)N
InChIInChI=1S/C13H18N2O.C12H15FN2O.3C12H16N2O.C11H13ClN2.C11H12F2N2O.C11H13FN2O.C11H13FN2.C11H14N2O/c1-9-7-15(8-10(2)14)13-6-11(16-3)4-5-12(9)13;1-8(14)7-15-4-3-9-5-10(13)12(16-2)6-11(9)15;1-8-5-10(15)6-12-11(8)3-4-14(12)7-9(2)13;1-9(13)8-14-6-5-10-3-4-11(15-2)7-12(10)14;1-9(13)8-14-7-6-10-4-3-5-11(15-2)12(10)14;1-8(13)7-14-5-4-9-2-3-10(12)6-11(9)14;1-6(14)5-15-3-2-7-8(15)4-9(16)11(13)10(7)12;1-7(13)6-14-5-4-8-2-3-9(15)10(12)11(8)14;1-8(13)7-14-5-4-9-6-10(12)2-3-11(9)14;1-8(12)7-13-6-5-9-3-2-4-10(14)11(9)13/h4-7,10H,8,14H2,1-3H3;3-6,8H,7,14H2,1-2H3;3-6,9,15H,7,13H2,1-2H3;2*3-7,9H,8,13H2,1-2H3;2-6,8H,7,13H2,1H3;2-4,6,16H,5,14H2,1H3;2-5,7,15H,6,13H2,1H3;2-6,8H,7,13H2,1H3;2-6,8,14H,7,12H2,1H3/t10-;8-;;2*9-;8-;;;8-;/m00.000..0./s1
InChIKeyYOJAMOJOQXXHQV-VHFMTEABSA-N
MW2079.02 g/mol
LogP20.71
Rot. Bonds24

About 1-(2-aminopropyl)-4,5-difluoroindol-6-ol;1-(2-aminopropyl)-7-fluoroindol-6-ol;1-(2-aminopropyl)indol-7-ol;1-(2-aminopropyl)-4-methylindol-6-ol;(2S)-1-(6-chloroindol-1-yl)propan-2-amine;(2S)-1-(5-fluoroindol-1-yl)propan-2-amine;(2S)-1-(5-fluoro-6-methoxyindol-1-yl)propan-2-amine;(2S)-1-(6-methoxyindol-1-yl)propan-2-amine;(2S)-1-(7-methoxyindol-1-yl)propan-2-amine;(2S)-1-(6-methoxy-3-methylindol-1-yl)propan-2-amine

1-(2-aminopropyl)-4,5-difluoroindol-6-ol;1-(2-aminopropyl)-7-fluoroindol-6-ol;1-(2-aminopropyl)indol-7-ol;1-(2-aminopropyl)-4-methylindol-6-ol;(2S)-1-(6-chloroindol-1-yl)propan-2-amine;(2S)-1-(5-fluoroindol-1-yl)propan-2-amine;(2S)-1-(5-fluoro-6-methoxyindol-1-yl)propan-2-amine;(2S)-1-(6-methoxyindol-1-yl)propan-2-amine;(2S)-1-(7-methoxyindol-1-yl)propan-2-amine;(2S)-1-(6-methoxy-3-methylindol-1-yl)propan-2-amine (PubChem CID 173286007) has the molecular formula C116H146ClF5N20O8 and a molecular weight of 2079.02 g/mol. Its IUPAC name is 1-(2-aminopropyl)-4,5-difluoroindol-6-ol;1-(2-aminopropyl)-7-fluoroindol-6-ol;1-(2-aminopropyl)indol-7-ol;1-(2-aminopropyl)-4-methylindol-6-ol;(2S)-1-(6-chloroindol-1-yl)propan-2-amine;(2S)-1-(5-fluoroindol-1-yl)propan-2-amine;(2S)-1-(5-fluoro-6-methoxyindol-1-yl)propan-2-amine;(2S)-1-(6-methoxyindol-1-yl)propan-2-amine;(2S)-1-(7-methoxyindol-1-yl)propan-2-amine;(2S)-1-(6-methoxy-3-methylindol-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-aminopropyl)-4,5-difluoroindol-6-ol;1-(2-aminopropyl)-7-fluoroindol-6-ol;1-(2-aminopropyl)indol-7-ol;1-(2-aminopropyl)-4-methylindol-6-ol;(2S)-1-(6-chloroindol-1-yl)propan-2-amine;(2S)-1-(5-fluoroindol-1-yl)propan-2-amine;(2S)-1-(5-fluoro-6-methoxyindol-1-yl)propan-2-amine;(2S)-1-(6-methoxyindol-1-yl)propan-2-amine;(2S)-1-(7-methoxyindol-1-yl)propan-2-amine;(2S)-1-(6-methoxy-3-methylindol-1-yl)propan-2-amine
PubChem CID173286007
Molecular FormulaC116H146ClF5N20O8
Molecular Weight2079.02 g/mol
Exact Mass2077.12
IUPAC Name1-(2-aminopropyl)-4,5-difluoroindol-6-ol;1-(2-aminopropyl)-7-fluoroindol-6-ol;1-(2-aminopropyl)indol-7-ol;1-(2-aminopropyl)-4-methylindol-6-ol;(2S)-1-(6-chloroindol-1-yl)propan-2-amine;(2S)-1-(5-fluoroindol-1-yl)propan-2-amine;(2S)-1-(5-fluoro-6-methoxyindol-1-yl)propan-2-amine;(2S)-1-(6-methoxyindol-1-yl)propan-2-amine;(2S)-1-(7-methoxyindol-1-yl)propan-2-amine;(2S)-1-(6-methoxy-3-methylindol-1-yl)propan-2-amine
SMILESCC(N)Cn1ccc2c(F)c(F)c(O)cc21.CC(N)Cn1ccc2ccc(O)c(F)c21.CC(N)Cn1ccc2cccc(O)c21.COc1cc2c(ccn2C[C@H](C)N)cc1F.COc1ccc2c(C)cn(C[C@H](C)N)c2c1.COc1ccc2ccn(C[C@H](C)N)c2c1.COc1cccc2ccn(C[C@H](C)N)c12.C[C@H](N)Cn1ccc2cc(F)ccc21.C[C@H](N)Cn1ccc2ccc(Cl)cc21.Cc1cc(O)cc2c1ccn2CC(C)N
InChIInChI=1S/C13H18N2O.C12H15FN2O.3C12H16N2O.C11H13ClN2.C11H12F2N2O.C11H13FN2O.C11H13FN2.C11H14N2O/c1-9-7-15(8-10(2)14)13-6-11(16-3)4-5-12(9)13;1-8(14)7-15-4-3-9-5-10(13)12(16-2)6-11(9)15;1-8-5-10(15)6-12-11(8)3-4-14(12)7-9(2)13;1-9(13)8-14-6-5-10-3-4-11(15-2)7-12(10)14;1-9(13)8-14-7-6-10-4-3-5-11(15-2)12(10)14;1-8(13)7-14-5-4-9-2-3-10(12)6-11(9)14;1-6(14)5-15-3-2-7-8(15)4-9(16)11(13)10(7)12;1-7(13)6-14-5-4-8-2-3-9(15)10(12)11(8)14;1-8(13)7-14-5-4-9-6-10(12)2-3-11(9)14;1-8(12)7-13-6-5-9-3-2-4-10(14)11(9)13/h4-7,10H,8,14H2,1-3H3;3-6,8H,7,14H2,1-2H3;3-6,9,15H,7,13H2,1-2H3;2*3-7,9H,8,13H2,1-2H3;2-6,8H,7,13H2,1H3;2-4,6,16H,5,14H2,1H3;2-5,7,15H,6,13H2,1H3;2-6,8H,7,13H2,1H3;2-6,8,14H,7,12H2,1H3/t10-;8-;;2*9-;8-;;;8-;/m00.000..0./s1
InChIKeyYOJAMOJOQXXHQV-VHFMTEABSA-N
XLogP20.71
TPSA427.34 Ų
H-Bond Donors14
H-Bond Acceptors28
Rotatable Bonds24
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002079.02
LogP ≤ 520.71
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1028

Analyze 1-(2-aminopropyl)-4,5-difluoroindol-6-ol;1-(2-aminopropyl)-7-fluoroindol-6-ol;1-(2-aminopropyl)indol-7-ol;1-(2-aminopropyl)-4-methylindol-6-ol;(2S)-1-(6-chloroindol-1-yl)propan-2-amine;(2S)-1-(5-fluoroindol-1-yl)propan-2-amine;(2S)-1-(5-fluoro-6-methoxyindol-1-yl)propan-2-amine;(2S)-1-(6-methoxyindol-1-yl)propan-2-amine;(2S)-1-(7-methoxyindol-1-yl)propan-2-amine;(2S)-1-(6-methoxy-3-methylindol-1-yl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropyl)-4,5-difluoroindol-6-ol;1-(2-aminopropyl)-7-fluoroindol-6-ol;1-(2-aminopropyl)indol-7-ol;1-(2-aminopropyl)-4-methylindol-6-ol;(2S)-1-(6-chloroindol-1-yl)propan-2-amine;(2S)-1-(5-fluoroindol-1-yl)propan-2-amine;(2S)-1-(5-fluoro-6-methoxyindol-1-yl)propan-2-amine;(2S)-1-(6-methoxyindol-1-yl)propan-2-amine;(2S)-1-(7-methoxyindol-1-yl)propan-2-amine;(2S)-1-(6-methoxy-3-methylindol-1-yl)propan-2-amine?
The IUPAC name of 1-(2-aminopropyl)-4,5-difluoroindol-6-ol;1-(2-aminopropyl)-7-fluoroindol-6-ol;1-(2-aminopropyl)indol-7-ol;1-(2-aminopropyl)-4-methylindol-6-ol;(2S)-1-(6-chloroindol-1-yl)propan-2-amine;(2S)-1-(5-fluoroindol-1-yl)propan-2-amine;(2S)-1-(5-fluoro-6-methoxyindol-1-yl)propan-2-amine;(2S)-1-(6-methoxyindol-1-yl)propan-2-amine;(2S)-1-(7-methoxyindol-1-yl)propan-2-amine;(2S)-1-(6-methoxy-3-methylindol-1-yl)propan-2-amine (CID 173286007) is 1-(2-aminopropyl)-4,5-difluoroindol-6-ol;1-(2-aminopropyl)-7-fluoroindol-6-ol;1-(2-aminopropyl)indol-7-ol;1-(2-aminopropyl)-4-methylindol-6-ol;(2S)-1-(6-chloroindol-1-yl)propan-2-amine;(2S)-1-(5-fluoroindol-1-yl)propan-2-amine;(2S)-1-(5-fluoro-6-methoxyindol-1-yl)propan-2-amine;(2S)-1-(6-methoxyindol-1-yl)propan-2-amine;(2S)-1-(7-methoxyindol-1-yl)propan-2-amine;(2S)-1-(6-methoxy-3-methylindol-1-yl)propan-2-amine.
What is the SMILES notation for 1-(2-aminopropyl)-4,5-difluoroindol-6-ol;1-(2-aminopropyl)-7-fluoroindol-6-ol;1-(2-aminopropyl)indol-7-ol;1-(2-aminopropyl)-4-methylindol-6-ol;(2S)-1-(6-chloroindol-1-yl)propan-2-amine;(2S)-1-(5-fluoroindol-1-yl)propan-2-amine;(2S)-1-(5-fluoro-6-methoxyindol-1-yl)propan-2-amine;(2S)-1-(6-methoxyindol-1-yl)propan-2-amine;(2S)-1-(7-methoxyindol-1-yl)propan-2-amine;(2S)-1-(6-methoxy-3-methylindol-1-yl)propan-2-amine?
The canonical SMILES for 1-(2-aminopropyl)-4,5-difluoroindol-6-ol;1-(2-aminopropyl)-7-fluoroindol-6-ol;1-(2-aminopropyl)indol-7-ol;1-(2-aminopropyl)-4-methylindol-6-ol;(2S)-1-(6-chloroindol-1-yl)propan-2-amine;(2S)-1-(5-fluoroindol-1-yl)propan-2-amine;(2S)-1-(5-fluoro-6-methoxyindol-1-yl)propan-2-amine;(2S)-1-(6-methoxyindol-1-yl)propan-2-amine;(2S)-1-(7-methoxyindol-1-yl)propan-2-amine;(2S)-1-(6-methoxy-3-methylindol-1-yl)propan-2-amine is CC(N)Cn1ccc2c(F)c(F)c(O)cc21.CC(N)Cn1ccc2ccc(O)c(F)c21.CC(N)Cn1ccc2cccc(O)c21.COc1cc2c(ccn2C[C@H](C)N)cc1F.COc1ccc2c(C)cn(C[C@H](C)N)c2c1.COc1ccc2ccn(C[C@H](C)N)c2c1.COc1cccc2ccn(C[C@H](C)N)c12.C[C@H](N)Cn1ccc2cc(F)ccc21.C[C@H](N)Cn1ccc2ccc(Cl)cc21.Cc1cc(O)cc2c1ccn2CC(C)N.
What is the InChIKey of 1-(2-aminopropyl)-4,5-difluoroindol-6-ol;1-(2-aminopropyl)-7-fluoroindol-6-ol;1-(2-aminopropyl)indol-7-ol;1-(2-aminopropyl)-4-methylindol-6-ol;(2S)-1-(6-chloroindol-1-yl)propan-2-amine;(2S)-1-(5-fluoroindol-1-yl)propan-2-amine;(2S)-1-(5-fluoro-6-methoxyindol-1-yl)propan-2-amine;(2S)-1-(6-methoxyindol-1-yl)propan-2-amine;(2S)-1-(7-methoxyindol-1-yl)propan-2-amine;(2S)-1-(6-methoxy-3-methylindol-1-yl)propan-2-amine?
The InChIKey is YOJAMOJOQXXHQV-VHFMTEABSA-N. The full InChI is InChI=1S/C13H18N2O.C12H15FN2O.3C12H16N2O.C11H13ClN2.C11H12F2N2O.C11H13FN2O.C11H13FN2.C11H14N2O/c1-9-7-15(8-10(2)14)13-6-11(16-3)4-5-12(9)13;1-8(14)7-15-4-3-9-5-10(13)12(16-2)6-11(9)15;1-8-5-10(15)6-12-11(8)3-4-14(12)7-9(2)13;1-9(13)8-14-6-5-10-3-4-11(15-2)7-12(10)14;1-9(13)8-14-7-6-10-4-3-5-11(15-2)12(10)14;1-8(13)7-14-5-4-9-2-3-10(12)6-11(9)14;1-6(14)5-15-3-2-7-8(15)4-9(16)11(13)10(7)12;1-7(13)6-14-5-4-8-2-3-9(15)10(12)11(8)14;1-8(13)7-14-5-4-9-6-10(12)2-3-11(9)14;1-8(12)7-13-6-5-9-3-2-4-10(14)11(9)13/h4-7,10H,8,14H2,1-3H3;3-6,8H,7,14H2,1-2H3;3-6,9,15H,7,13H2,1-2H3;2*3-7,9H,8,13H2,1-2H3;2-6,8H,7,13H2,1H3;2-4,6,16H,5,14H2,1H3;2-5,7,15H,6,13H2,1H3;2-6,8H,7,13H2,1H3;2-6,8,14H,7,12H2,1H3/t10-;8-;;2*9-;8-;;;8-;/m00.000..0./s1.
What are the key properties of 1-(2-aminopropyl)-4,5-difluoroindol-6-ol;1-(2-aminopropyl)-7-fluoroindol-6-ol;1-(2-aminopropyl)indol-7-ol;1-(2-aminopropyl)-4-methylindol-6-ol;(2S)-1-(6-chloroindol-1-yl)propan-2-amine;(2S)-1-(5-fluoroindol-1-yl)propan-2-amine;(2S)-1-(5-fluoro-6-methoxyindol-1-yl)propan-2-amine;(2S)-1-(6-methoxyindol-1-yl)propan-2-amine;(2S)-1-(7-methoxyindol-1-yl)propan-2-amine;(2S)-1-(6-methoxy-3-methylindol-1-yl)propan-2-amine?
1-(2-aminopropyl)-4,5-difluoroindol-6-ol;1-(2-aminopropyl)-7-fluoroindol-6-ol;1-(2-aminopropyl)indol-7-ol;1-(2-aminopropyl)-4-methylindol-6-ol;(2S)-1-(6-chloroindol-1-yl)propan-2-amine;(2S)-1-(5-fluoroindol-1-yl)propan-2-amine;(2S)-1-(5-fluoro-6-methoxyindol-1-yl)propan-2-amine;(2S)-1-(6-methoxyindol-1-yl)propan-2-amine;(2S)-1-(7-methoxyindol-1-yl)propan-2-amine;(2S)-1-(6-methoxy-3-methylindol-1-yl)propan-2-amine has a molecular weight of 2079.02 g/mol, XLogP of 20.71, 24 rotatable bonds, 14 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropyl)-4,5-difluoroindol-6-ol;1-(2-aminopropyl)-7-fluoroindol-6-ol;1-(2-aminopropyl)indol-7-ol;1-(2-aminopropyl)-4-methylindol-6-ol;(2S)-1-(6-chloroindol-1-yl)propan-2-amine;(2S)-1-(5-fluoroindol-1-yl)propan-2-amine;(2S)-1-(5-fluoro-6-methoxyindol-1-yl)propan-2-amine;(2S)-1-(6-methoxyindol-1-yl)propan-2-amine;(2S)-1-(7-methoxyindol-1-yl)propan-2-amine;(2S)-1-(6-methoxy-3-methylindol-1-yl)propan-2-amine is sourced from PubChem (CID 173286007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).