3-(5-Methyl-3-indolyl)-1-propanamine - CAS 586336-25-6
Catalog: |
BB030106 |
Product Name: |
3-(5-Methyl-3-indolyl)-1-propanamine |
CAS: |
586336-25-6 |
Synonyms: |
3-(5-methyl-1H-indol-3-yl)-1-propanamine; 3-(5-methyl-1H-indol-3-yl)propan-1-amine |
IUPAC Name: | 3-(5-methyl-1H-indol-3-yl)propan-1-amine |
Description: | 3-(5-Methyl-3-indolyl)-1-propanamine (CAS# 586336-25-6 ) is a useful research chemical. |
Molecular Weight: | 188.27 |
Molecular Formula: | C12H16N2 |
Canonical SMILES: | CC1=CC2=C(C=C1)NC=C2CCCN |
InChI: | InChI=1S/C12H16N2/c1-9-4-5-12-11(7-9)10(8-14-12)3-2-6-13/h4-5,7-8,14H,2-3,6,13H2,1H3 |
InChI Key: | KFESEJGQXUWYJU-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
US-10047066-B2 | IDO inhibitors | 20071130 |
US-2011053941-A1 | IDO Inhibitors | 20071130 |
US-2013289083-A1 | IDO Inhibitors | 20071130 |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.131348519 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.131348519 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 41.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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