N-(3-Indolylmethyl)benzylamine - CAS 57506-64-6
Catalog: |
BB029726 |
Product Name: |
N-(3-Indolylmethyl)benzylamine |
CAS: |
57506-64-6 |
Synonyms: |
N-(1H-indol-3-ylmethyl)-1-phenylmethanamine; N-(1H-indol-3-ylmethyl)-1-phenylmethanamine |
IUPAC Name: | N-(1H-indol-3-ylmethyl)-1-phenylmethanamine |
Description: | N-(3-Indolylmethyl)benzylamine (CAS# 57506-64-6 ) is a useful research chemical. |
Molecular Weight: | 236.31 |
Molecular Formula: | C16H16N2 |
Canonical SMILES: | C1=CC=C(C=C1)CNCC2=CNC3=CC=CC=C32 |
InChI: | InChI=1S/C16H16N2/c1-2-6-13(7-3-1)10-17-11-14-12-18-16-9-5-4-8-15(14)16/h1-9,12,17-18H,10-11H2 |
InChI Key: | HOAMAZXLUBYFFA-UHFFFAOYSA-N |
LogP: | 3.84860 |
Publication Number | Title | Priority Date |
EP-1928826-A1 | Sulphonylpyrrole hydrochloride salts as histone deacetylases inhibitors | 20050921 |
EP-1928872-A1 | Novel sulphonylpyrroles as inhibitors of hdac s novel sulphonylpyrroles | 20050921 |
TW-I382971-B | Novel sulfonylpyrrole | 20050921 |
US-2009263353-A1 | Novel Sulphonylpyrroles as Inhibitors of Hdac S Novel Sulphonylpyrroles | 20050921 |
US-2009297473-A1 | Sulphonylpyrrole Hydrochloride Salts as Histone Deacetylases Inhibitors | 20050921 |
PMID | Publication Date | Title | Journal |
8135641 | 19940201 | [Antimycobacterial indole derivatives] | Archiv der Pharmazie |
Complexity: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.131348519 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.131348519 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 27.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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