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17862-85-0 | Benzeneethanamine, 3-methoxy-α-methyl-
CAS No: 17862-85-0 Catalog No: AG002672 MDL No:
Product Description
Catalog Number:
AG002672
Chemical Name:
Benzeneethanamine, 3-methoxy-α-methyl-
CAS Number:
17862-85-0
Molecular Formula:
C10H15NO
Molecular Weight:
165.2322
IUPAC Name:
1-(3-methoxyphenyl)propan-2-amine
InChI:
InChI=1S/C10H15NO/c1-8(11)6-9-4-3-5-10(7-9)12-2/h3-5,7-8H,6,11H2,1-2H3
InChI Key:
VEJWNIYARKAHFI-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)CC(N)C
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.236g/mol
Monoisotopic Mass:
165.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Interactions of amphetamine analogs with human liver CYP2D6. | Biochemical pharmacology 19970601 |
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