(4-Fluoro-phenyl)-(1H-indol-3-ylmethyl)-amine - CAS 842968-58-5
Catalog: |
BB047444 |
Product Name: |
(4-Fluoro-phenyl)-(1H-indol-3-ylmethyl)-amine |
CAS: |
842968-58-5 |
Synonyms: |
N-((1H-Indol-3-yl)methyl)-4-fluoroaniline; (4-fluorophenyl)(indol-3-ylmethyl)amine |
IUPAC Name: | 4-fluoro-N-(1H-indol-3-ylmethyl)aniline |
Description: | (4-Fluoro-phenyl)-(1H-indol-3-ylmethyl)-amine (CAS# 842968-58-5 ) is a useful research chemical. |
Molecular Weight: | 240.27 |
Molecular Formula: | C15H13FN2 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=CN2)CNC3=CC=C(C=C3)F |
InChI: | InChI=1S/C15H13FN2/c16-12-5-7-13(8-6-12)17-9-11-10-18-15-4-2-1-3-14(11)15/h1-8,10,17-18H,9H2 |
InChI Key: | MDPHUMVCHPMXFO-UHFFFAOYSA-N |
Complexity: | 263 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.10627659 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.10627659 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 27.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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