Home Other Building Blocks {4-methyl-2-[(4-methylpentan-2-yl)oxy]phenyl}methanamine

{4-methyl-2-[(4-methylpentan-2-yl)oxy]phenyl}methanamine

CAS No.:
1249037-82-8
Catalog Number:
AG019ZIF
Molecular Formula:
C14H23NO
Molecular Weight:
221.3385
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Product Description
Catalog Number:
AG019ZIF
Chemical Name:
{4-methyl-2-[(4-methylpentan-2-yl)oxy]phenyl}methanamine
CAS Number:
1249037-82-8
Molecular Formula:
C14H23NO
Molecular Weight:
221.3385
MDL Number:
MFCD16731729
IUPAC Name:
[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methanamine
InChI:
InChI=1S/C14H23NO/c1-10(2)7-12(4)16-14-8-11(3)5-6-13(14)9-15/h5-6,8,10,12H,7,9,15H2,1-4H3
InChI Key:
QIVGGTZUHXVDAD-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1OC(CC(C)C)C)C
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.178g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.344g/mol
Monoisotopic Mass:
221.178g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties