(2R)-1-(5,6-dimethylindol-1-yl)-N,N-dimethylpropan-2-amine;(2R)-N,N-dimethyl-1-(5-methylindol-1-yl)propan-2-amine;(2S)-N,N-dimethyl-1-(5-methylindol-1-yl)propan-2-amine;(2R)-1-([1,3]dioxolo[4,5-f]indol-5-yl)-N,N-dimethylpropan-2-amine;(2R)-1-(5-fluoroindol-1-yl)-N,N-dimethylpropan-2-amine;(2S)-1-(5-fluoroindol-1-yl)-N,N-dimethylpropan-2-amine

C83H114F2N12O2 — CID 159541413

About (2R)-1-(5,6-dimethylindol-1-yl)-N,N-dimethylpropan-2-amine;(2R)-N,N-dimethyl-1-(5-methylindol-1-yl)propan-2-amine;(2S)-N,N-dimethyl-1-(5-methylindol-1-yl)propan-2-amine;(2R)-1-([1,3]dioxolo[4,5-f]indol-5-yl)-N,N-dimethylpropan-2-amine;(2R)-1-(5-fluoroindol-1-yl)-N,N-dimethylpropan-2-amine;(2S)-1-(5-fluoroindol-1-yl)-N,N-dimethylpropan-2-amine

(2R)-1-(5,6-dimethylindol-1-yl)-N,N-dimethylpropan-2-amine;(2R)-N,N-dimethyl-1-(5-methylindol-1-yl)propan-2-amine;(2S)-N,N-dimethyl-1-(5-methylindol-1-yl)propan-2-amine;(2R)-1-([1,3]dioxolo[4,5-f]indol-5-yl)-N,N-dimethylpropan-2-amine;(2R)-1-(5-fluoroindol-1-yl)-N,N-dimethylpropan-2-amine;(2S)-1-(5-fluoroindol-1-yl)-N,N-dimethylpropan-2-amine (PubChem CID 159541413) has the molecular formula C83H114F2N12O2 and a molecular weight of 1349.90 g/mol. Its IUPAC name is (2R)-1-(5,6-dimethylindol-1-yl)-N,N-dimethylpropan-2-amine;(2R)-N,N-dimethyl-1-(5-methylindol-1-yl)propan-2-amine;(2S)-N,N-dimethyl-1-(5-methylindol-1-yl)propan-2-amine;(2R)-1-([1,3]dioxolo[4,5-f]indol-5-yl)-N,N-dimethylpropan-2-amine;(2R)-1-(5-fluoroindol-1-yl)-N,N-dimethylpropan-2-amine;(2S)-1-(5-fluoroindol-1-yl)-N,N-dimethylpropan-2-amine.

Molecular Properties

• Compound Name: (2R)-1-(5,6-dimethylindol-1-yl)-N,N-dimethylpropan-2-amine;(2R)-N,N-dimethyl-1-(5-methylindol-1-yl)propan-2-amine;(2S)-N,N-dimethyl-1-(5-methylindol-1-yl)propan-2-amine;(2R)-1-([1,3]dioxolo[4,5-f]indol-5-yl)-N,N-dimethylpropan-2-amine;(2R)-1-(5-fluoroindol-1-yl)-N,N-dimethylpropan-2-amine;(2S)-1-(5-fluoroindol-1-yl)-N,N-dimethylpropan-2-amine
• PubChem CID: 159541413
• Molecular Formula: C83H114F2N12O2
• Molecular Weight: 1349.90 g/mol
• Exact Mass: 1348.92
• IUPAC Name: (2R)-1-(5,6-dimethylindol-1-yl)-N,N-dimethylpropan-2-amine;(2R)-N,N-dimethyl-1-(5-methylindol-1-yl)propan-2-amine;(2S)-N,N-dimethyl-1-(5-methylindol-1-yl)propan-2-amine;(2R)-1-([1,3]dioxolo[4,5-f]indol-5-yl)-N,N-dimethylpropan-2-amine;(2R)-1-(5-fluoroindol-1-yl)-N,N-dimethylpropan-2-amine;(2S)-1-(5-fluoroindol-1-yl)-N,N-dimethylpropan-2-amine
• SMILES: C[C@@H](Cn1ccc2cc(F)ccc21)N(C)C.C[C@H](Cn1ccc2cc(F)ccc21)N(C)C.C[C@H](Cn1ccc2cc3c(cc21)OCO3)N(C)C.Cc1cc2ccn(C[C@@H](C)N(C)C)c2cc1C.Cc1ccc2c(ccn2C[C@@H](C)N(C)C)c1.Cc1ccc2c(ccn2C[C@H](C)N(C)C)c1
• InChI: InChI=1S/C15H22N2.C14H18N2O2.2C14H20N2.2C13H17FN2/c1-11-8-14-6-7-17(10-13(3)16(4)5)15(14)9-12(11)2;1-10(15(2)3)8-16-5-4-11-6-13-14(7-12(11)16)18-9-17-13;2*1-11-5-6-14-13(9-11)7-8-16(14)10-12(2)15(3)4;2*1-10(15(2)3)9-16-7-6-11-8-12(14)4-5-13(11)16/h6-9,13H,10H2,1-5H3;4-7,10H,8-9H2,1-3H3;2*5-9,12H,10H2,1-4H3;2*4-8,10H,9H2,1-3H3/t13-;10-;2*12-;2*10-/m111010/s1
• InChIKey: MEGKRIOWQHGIPU-JMGOSUBUSA-N
• XLogP: 16.79
• TPSA: 67.48 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1349.90
LogP ≤ 5	16.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5,6-dimethylindol-1-yl)-N,N-dimethylpropan-2-amine;(2R)-N,N-dimethyl-1-(5-methylindol-1-yl)propan-2-amine;(2S)-N,N-dimethyl-1-(5-methylindol-1-yl)propan-2-amine;(2R)-1-([1,3]dioxolo[4,5-f]indol-5-yl)-N,N-dimethylpropan-2-amine;(2R)-1-(5-fluoroindol-1-yl)-N,N-dimethylpropan-2-amine;(2S)-1-(5-fluoroindol-1-yl)-N,N-dimethylpropan-2-amine?

The IUPAC name of (2R)-1-(5,6-dimethylindol-1-yl)-N,N-dimethylpropan-2-amine;(2R)-N,N-dimethyl-1-(5-methylindol-1-yl)propan-2-amine;(2S)-N,N-dimethyl-1-(5-methylindol-1-yl)propan-2-amine;(2R)-1-([1,3]dioxolo[4,5-f]indol-5-yl)-N,N-dimethylpropan-2-amine;(2R)-1-(5-fluoroindol-1-yl)-N,N-dimethylpropan-2-amine;(2S)-1-(5-fluoroindol-1-yl)-N,N-dimethylpropan-2-amine (CID 159541413) is (2R)-1-(5,6-dimethylindol-1-yl)-N,N-dimethylpropan-2-amine;(2R)-N,N-dimethyl-1-(5-methylindol-1-yl)propan-2-amine;(2S)-N,N-dimethyl-1-(5-methylindol-1-yl)propan-2-amine;(2R)-1-([1,3]dioxolo[4,5-f]indol-5-yl)-N,N-dimethylpropan-2-amine;(2R)-1-(5-fluoroindol-1-yl)-N,N-dimethylpropan-2-amine;(2S)-1-(5-fluoroindol-1-yl)-N,N-dimethylpropan-2-amine.

What is the SMILES notation for (2R)-1-(5,6-dimethylindol-1-yl)-N,N-dimethylpropan-2-amine;(2R)-N,N-dimethyl-1-(5-methylindol-1-yl)propan-2-amine;(2S)-N,N-dimethyl-1-(5-methylindol-1-yl)propan-2-amine;(2R)-1-([1,3]dioxolo[4,5-f]indol-5-yl)-N,N-dimethylpropan-2-amine;(2R)-1-(5-fluoroindol-1-yl)-N,N-dimethylpropan-2-amine;(2S)-1-(5-fluoroindol-1-yl)-N,N-dimethylpropan-2-amine?

The canonical SMILES for (2R)-1-(5,6-dimethylindol-1-yl)-N,N-dimethylpropan-2-amine;(2R)-N,N-dimethyl-1-(5-methylindol-1-yl)propan-2-amine;(2S)-N,N-dimethyl-1-(5-methylindol-1-yl)propan-2-amine;(2R)-1-([1,3]dioxolo[4,5-f]indol-5-yl)-N,N-dimethylpropan-2-amine;(2R)-1-(5-fluoroindol-1-yl)-N,N-dimethylpropan-2-amine;(2S)-1-(5-fluoroindol-1-yl)-N,N-dimethylpropan-2-amine is C[C@@H](Cn1ccc2cc(F)ccc21)N(C)C.C[C@H](Cn1ccc2cc(F)ccc21)N(C)C.C[C@H](Cn1ccc2cc3c(cc21)OCO3)N(C)C.Cc1cc2ccn(C[C@@H](C)N(C)C)c2cc1C.Cc1ccc2c(ccn2C[C@@H](C)N(C)C)c1.Cc1ccc2c(ccn2C[C@H](C)N(C)C)c1.

What is the InChIKey of (2R)-1-(5,6-dimethylindol-1-yl)-N,N-dimethylpropan-2-amine;(2R)-N,N-dimethyl-1-(5-methylindol-1-yl)propan-2-amine;(2S)-N,N-dimethyl-1-(5-methylindol-1-yl)propan-2-amine;(2R)-1-([1,3]dioxolo[4,5-f]indol-5-yl)-N,N-dimethylpropan-2-amine;(2R)-1-(5-fluoroindol-1-yl)-N,N-dimethylpropan-2-amine;(2S)-1-(5-fluoroindol-1-yl)-N,N-dimethylpropan-2-amine?

The InChIKey is MEGKRIOWQHGIPU-JMGOSUBUSA-N. The full InChI is InChI=1S/C15H22N2.C14H18N2O2.2C14H20N2.2C13H17FN2/c1-11-8-14-6-7-17(10-13(3)16(4)5)15(14)9-12(11)2;1-10(15(2)3)8-16-5-4-11-6-13-14(7-12(11)16)18-9-17-13;2*1-11-5-6-14-13(9-11)7-8-16(14)10-12(2)15(3)4;2*1-10(15(2)3)9-16-7-6-11-8-12(14)4-5-13(11)16/h6-9,13H,10H2,1-5H3;4-7,10H,8-9H2,1-3H3;2*5-9,12H,10H2,1-4H3;2*4-8,10H,9H2,1-3H3/t13-;10-;2*12-;2*10-/m111010/s1.

What are the key properties of (2R)-1-(5,6-dimethylindol-1-yl)-N,N-dimethylpropan-2-amine;(2R)-N,N-dimethyl-1-(5-methylindol-1-yl)propan-2-amine;(2S)-N,N-dimethyl-1-(5-methylindol-1-yl)propan-2-amine;(2R)-1-([1,3]dioxolo[4,5-f]indol-5-yl)-N,N-dimethylpropan-2-amine;(2R)-1-(5-fluoroindol-1-yl)-N,N-dimethylpropan-2-amine;(2S)-1-(5-fluoroindol-1-yl)-N,N-dimethylpropan-2-amine?

(2R)-1-(5,6-dimethylindol-1-yl)-N,N-dimethylpropan-2-amine;(2R)-N,N-dimethyl-1-(5-methylindol-1-yl)propan-2-amine;(2S)-N,N-dimethyl-1-(5-methylindol-1-yl)propan-2-amine;(2R)-1-([1,3]dioxolo[4,5-f]indol-5-yl)-N,N-dimethylpropan-2-amine;(2R)-1-(5-fluoroindol-1-yl)-N,N-dimethylpropan-2-amine;(2S)-1-(5-fluoroindol-1-yl)-N,N-dimethylpropan-2-amine has a molecular weight of 1349.90 g/mol, XLogP of 16.79, 18 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-(5,6-dimethylindol-1-yl)-N,N-dimethylpropan-2-amine;(2R)-N,N-dimethyl-1-(5-methylindol-1-yl)propan-2-amine;(2S)-N,N-dimethyl-1-(5-methylindol-1-yl)propan-2-amine;(2R)-1-([1,3]dioxolo[4,5-f]indol-5-yl)-N,N-dimethylpropan-2-amine;(2R)-1-(5-fluoroindol-1-yl)-N,N-dimethylpropan-2-amine;(2S)-1-(5-fluoroindol-1-yl)-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 159541413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).