Home Halogens 1-(5-chloro-2-methoxyphenyl)-3-methylbutan-1-amine

1-(5-chloro-2-methoxyphenyl)-3-methylbutan-1-amine

CAS No.:
1215919-10-0
Catalog Number:
AG01AJZ6
Molecular Formula:
C12H18ClNO
Molecular Weight:
227.7304
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Product Description
Catalog Number:
AG01AJZ6
Chemical Name:
1-(5-chloro-2-methoxyphenyl)-3-methylbutan-1-amine
CAS Number:
1215919-10-0
Molecular Formula:
C12H18ClNO
Molecular Weight:
227.7304
MDL Number:
MFCD14530571
IUPAC Name:
1-(5-chloro-2-methoxyphenyl)-3-methylbutan-1-amine
InChI:
InChI=1S/C12H18ClNO/c1-8(2)6-11(14)10-7-9(13)4-5-12(10)15-3/h4-5,7-8,11H,6,14H2,1-3H3
InChI Key:
YVBXDOZDXCKDTR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(CC(C)C)N)Cl
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.108g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.732g/mol
Monoisotopic Mass:
227.108g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties