2-(4-(Trifluoromethyl)-1H-indol-3-yl)ethanamine - CAS 959236-33-0
Catalog: |
BB042532 |
Product Name: |
2-(4-(Trifluoromethyl)-1H-indol-3-yl)ethanamine |
CAS: |
959236-33-0 |
Synonyms: |
ZINC26894227; AKOS032961466 |
IUPAC Name: | 2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine |
Description: | 2-(4-(Trifluoromethyl)-1H-indol-3-yl)ethanamine (CAS# 959236-33-0 ) is a useful research chemical. |
Molecular Weight: | 228.21 |
Molecular Formula: | C11H11F3N2 |
Canonical SMILES: | C1=CC(=C2C(=C1)NC=C2CCN)C(F)(F)F |
InChI: | InChI=1S/C11H11F3N2/c12-11(13,14)8-2-1-3-9-10(8)7(4-5-15)6-16-9/h1-3,6,16H,4-5,15H2 |
InChI Key: | ODDZYKIMCAXEAO-UHFFFAOYSA-N |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.08743285 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.08743285 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 41.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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