2-Chloro-6-methyl-4-[(4-methoxyphenyl)methoxy]benzenamine - CAS 1797987-55-3
Catalog: |
BB062385 |
Product Name: |
2-Chloro-6-methyl-4-[(4-methoxyphenyl)methoxy]benzenamine |
CAS: |
1797987-55-3 |
Synonyms: |
2-Chloro-4-[(4-methoxyphenyl)methoxy]-6-methylaniline; 2-Chloro-6-methyl-4-[(4-methoxyphenyl)methoxy]benzenamine |
IUPAC Name: | 2-chloro-4-[(4-methoxyphenyl)methoxy]-6-methylaniline |
Description: | An intermediate in the preparation of Dasatinib (D193600) and its derivatives. |
Molecular Weight: | 277.75 |
Molecular Formula: | C15H16ClNO2 |
Canonical SMILES: | CC1=CC(=CC(=C1N)Cl)OCC2=CC=C(C=C2)OC |
InChI: | InChI=1S/C15H16ClNO2/c1-10-7-13(8-14(16)15(10)17)19-9-11-3-5-12(18-2)6-4-11/h3-8H,9,17H2,1-2H3 |
InChI Key: | XWBQOAMCSSTDLF-UHFFFAOYSA-N |
Complexity: | 269 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 277.0869564 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.0869564 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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