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138769-41-2 | 1H-Indole-3-acetic acid, 1-[2-(methylphenylamino)ethyl]-
CAS No: 138769-41-2 Catalog No: AG0019J3 MDL No:
Product Description
Catalog Number:
AG0019J3
Chemical Name:
1H-Indole-3-acetic acid, 1-[2-(methylphenylamino)ethyl]-
CAS Number:
138769-41-2
Molecular Formula:
C19H20N2O2
Molecular Weight:
308.3743
IUPAC Name:
2-[1-[2-(N-methylanilino)ethyl]indol-3-yl]acetic acid
InChI:
InChI=1S/C19H20N2O2/c1-20(16-7-3-2-4-8-16)11-12-21-14-15(13-19(22)23)17-9-5-6-10-18(17)21/h2-10,14H,11-13H2,1H3,(H,22,23)
InChI Key:
IEOXNPAGZQCCJJ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cn(c2c1cccc2)CCN(c1ccccc1)C
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.152g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.381g/mol
Monoisotopic Mass:
308.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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