3-(3-Methoxyphenyl)aniline - CAS 400748-70-1
Catalog: |
BB024286 |
Product Name: |
3-(3-Methoxyphenyl)aniline |
CAS: |
400748-70-1 |
Synonyms: |
3-(3-methoxyphenyl)aniline; 3-(3-methoxyphenyl)aniline |
IUPAC Name: | 3-(3-methoxyphenyl)aniline |
Description: | 3-(3-Methoxyphenyl)aniline (CAS# 400748-70-1) is a useful research chemical. |
Molecular Weight: | 199.25 |
Molecular Formula: | C13H13NO |
Canonical SMILES: | COC1=CC=CC(=C1)C2=CC(=CC=C2)N |
InChI: | InChI=1S/C13H13NO/c1-15-13-7-3-5-11(9-13)10-4-2-6-12(14)8-10/h2-9H,14H2,1H3 |
InChI Key: | FTMWHDFYWZAJNW-UHFFFAOYSA-N |
Boiling Point: | 370.2 °C at 760 mmHg |
Density: | 1.1 g/cm3 |
MDL: | MFCD03424667 |
LogP: | 3.52560 |
Publication Number | Title | Priority Date |
WO-2020168143-A1 | Substituted bicyclic compounds as farnesoid x receptor modulators | 20190215 |
WO-2020168148-A1 | Substituted bicyclic compounds as farnesoid x receptor modulators | 20190215 |
TW-202045498-A | Substituted bicyclic compounds as farnesoid x receptor modulators | 20190215 |
US-2021261535-A1 | Substituted bicyclic compounds as farnesoid x receptor modulators | 20190215 |
AU-2018265148-A1 | Diarylureas as CB1 allosteric modulators | 20170512 |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.099714038 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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Amines and Anilines
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