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1192657-66-1 | 3-[2-(8-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)ethyl]aniline
CAS No: 1192657-66-1 Catalog No: AG00JHKG MDL No:MFCD13705051
Product Description
Catalog Number:
AG00JHKG
Chemical Name:
3-[2-(8-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)ethyl]aniline
CAS Number:
1192657-66-1
Molecular Formula:
C18H22N2O
Molecular Weight:
282.3801
MDL Number:
MFCD13705051
IUPAC Name:
3-[2-(8-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)ethyl]aniline
InChI:
InChI=1S/C18H22N2O/c1-21-17-7-3-5-14-9-11-16(20-18(14)17)10-8-13-4-2-6-15(19)12-13/h2-7,12,16,20H,8-11,19H2,1H3
InChI Key:
XHYXRZFRPKKLDW-UHFFFAOYSA-N
SMILES:
COc1cccc2c1NC(CCc1cccc(c1)N)CC2
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.173g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.387g/mol
Monoisotopic Mass:
282.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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