2-(3-Fluoro-4-methoxyphenyl)ethylamine - CAS 458-40-2
Catalog: |
BB025989 |
Product Name: |
2-(3-Fluoro-4-methoxyphenyl)ethylamine |
CAS: |
458-40-2 |
Synonyms: |
2-(3-fluoro-4-methoxyphenyl)ethanamine; 2-(3-fluoro-4-methoxyphenyl)ethanamine |
IUPAC Name: | 2-(3-fluoro-4-methoxyphenyl)ethanamine |
Description: | 2-(3-Fluoro-4-methoxyphenyl)ethylamine (CAS# 458-40-2) is a useful research chemical. |
Molecular Weight: | 169.20 |
Molecular Formula: | C9H12FNO |
Canonical SMILES: | COC1=C(C=C(C=C1)CCN)F |
InChI: | InChI=1S/C9H12FNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4-5,11H2,1H3 |
InChI Key: | QIVBJMNUDCAJED-UHFFFAOYSA-N |
LogP: | 2.03580 |
Publication Number | Title | Priority Date |
WO-2021095032-A1 | Glucose uptake inhibitors and uses thereof | 20191113 |
WO-2021018858-A1 | 6,7-dihydro-5h-pyrido[2,3-c]pyridazine derivatives and related compounds as bcl-xl protein inhibitors and pro-apoptotic agents for treating cancer | 20190729 |
EP-3814356-A1 | Triazolotriazine derivatives as a2a receptor antagonists | 20180626 |
WO-2019200120-A1 | Dihydroisoquinoline-2(1h)-carboxamide and related compounds and their use in treating medical conditions | 20180411 |
US-2021139484-A1 | Dihydroisoquinoline-2(1h)-carboxamide and related compounds and their use in treating medical conditions | 20180411 |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.090292168 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.090292168 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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