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141333-62-2 | Benzeneethanamine, 3-(cyclopentyloxy)-4-methoxy-N-(4-nitrophenyl)-
CAS No: 141333-62-2 Catalog No: AG001G88 MDL No:
Product Description
Catalog Number:
AG001G88
Chemical Name:
Benzeneethanamine, 3-(cyclopentyloxy)-4-methoxy-N-(4-nitrophenyl)-
CAS Number:
141333-62-2
Molecular Formula:
C20H24N2O4
Molecular Weight:
356.4156
IUPAC Name:
N-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]-4-nitroaniline
InChI:
InChI=1S/C20H24N2O4/c1-25-19-11-6-15(14-20(19)26-18-4-2-3-5-18)12-13-21-16-7-9-17(10-8-16)22(23)24/h6-11,14,18,21H,2-5,12-13H2,1H3
InChI Key:
SLWQJBZZXRYEOK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OC1CCCC1)CCNc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.174g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.422g/mol
Monoisotopic Mass:
356.174g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
76.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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