Home Other Building Blocks 3-methoxy-4-(propan-2-yloxy)aniline

3-methoxy-4-(propan-2-yloxy)aniline

CAS No.:
212489-99-1
Catalog Number:
AG01ACDN
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
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Product Description
Catalog Number:
AG01ACDN
Chemical Name:
3-methoxy-4-(propan-2-yloxy)aniline
CAS Number:
212489-99-1
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
MDL Number:
MFCD08582763
IUPAC Name:
3-methoxy-4-propan-2-yloxyaniline
InChI:
InChI=1S/C10H15NO2/c1-7(2)13-9-5-4-8(11)6-10(9)12-3/h4-7H,11H2,1-3H3
InChI Key:
IGZFSUDKYSKVJY-UHFFFAOYSA-N
SMILES:
COc1cc(N)ccc1OC(C)C
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.11g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties