| CAS Number | 333753-64-3 |
| Catalog Number | AG01A3NL(AGN-PC-0WD0KS) |
| Chemical Name | 1-(4-Fluoro-3-Methoxyphenyl)Ethanamine |
| IUPAC Name | 1-(4-fluoro-3-methoxyphenyl)ethanamine |
| InChI | InChI=1S/C9H12FNO/c1-6(11)7-3-4-8(10)9(5-7)12-2/h3-6H,11H2,1-2H3 |
| InChI Key | ZYUQFKDHMDFLHO-UHFFFAOYSA-N |
| MDL Number | MFCD18703380 |
| Molecular Formula | C9H12FNO |
| Molecular Weight | 169.1961 |
| SMILES | CC(N)C1=CC=C(F)C(OC)=C1 |
| Synonyms | 1-(4-fluoro-3-methoxyphenyl)ethanamine,
333753-64-3,
1-(4-fluoro-3-methoxyphenyl)ethan-1-amine,
(1S)-1-(4-fluoro-3-methoxyphenyl)ethanamine,
SCHEMBL3719566,
AKOS006346372,
NE47086,
AK160451,
AK321134,
4CH-011463,
(1R)-1-(4-FLUORO-3-METHOXYPHENYL)ETHANAMINE,
(S)-1-(4-Fluoro-3-methoxyphenyl)ethanamine,
(R)-1-(4-Fluoro-3-methoxyphenyl)ethanamine,
CID11788518,
1-(4-fluoro-3-methoxy-phenyl)ethanamine,
870849-59-5,
1157581-09-3,
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| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.199g/mol |
| Monoisotopic Mass | 169.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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