Home Other Building Blocks [3-methoxy-4-(3-methylbutoxy)phenyl]methanamine

[3-methoxy-4-(3-methylbutoxy)phenyl]methanamine

CAS No.:
854185-21-0
Catalog Number:
AG019UBK
Molecular Formula:
C13H21NO2
Molecular Weight:
223.3113
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Product Description
Catalog Number:
AG019UBK
Chemical Name:
[3-methoxy-4-(3-methylbutoxy)phenyl]methanamine
CAS Number:
854185-21-0
Molecular Formula:
C13H21NO2
Molecular Weight:
223.3113
MDL Number:
MFCD09731103
IUPAC Name:
[3-methoxy-4-(3-methylbutoxy)phenyl]methanamine
InChI:
InChI=1S/C13H21NO2/c1-10(2)6-7-16-12-5-4-11(9-14)8-13(12)15-3/h4-5,8,10H,6-7,9,14H2,1-3H3
InChI Key:
IHSBWSHLJSGCAM-UHFFFAOYSA-N
SMILES:
COc1cc(CN)ccc1OCCC(C)C
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.157g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.316g/mol
Monoisotopic Mass:
223.157g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties