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100096-41-1 | 2H-Pyran-4-amine, tetrahydro-N-(4-methoxyphenyl)-2,2-dimethyl-
CAS No: 100096-41-1 Catalog No: AG0000WO MDL No:
Product Description
Catalog Number:
AG0000WO
Chemical Name:
2H-Pyran-4-amine, tetrahydro-N-(4-methoxyphenyl)-2,2-dimethyl-
CAS Number:
100096-41-1
Molecular Formula:
C14H21NO2
Molecular Weight:
235.3220
IUPAC Name:
N-(4-methoxyphenyl)-2,2-dimethyloxan-4-amine
InChI:
InChI=1S/C14H21NO2/c1-14(2)10-12(8-9-17-14)15-11-4-6-13(16-3)7-5-11/h4-7,12,15H,8-10H2,1-3H3
InChI Key:
RGSKQLVZODNTQC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC1CCOC(C1)(C)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.327g/mol
Monoisotopic Mass:
235.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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