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1229224-93-4 | 1-Naphthalenemethanamine, 5,6,7,8-tetrahydro-α-methyl-N-[3-[3-(trifluoromethyl)phenyl]propyl]-, (αR)-
CAS No: 1229224-93-4 Catalog No: AG000JSG MDL No:MFCD28167920
Product Description
Catalog Number:
AG000JSG
Chemical Name:
1-Naphthalenemethanamine, 5,6,7,8-tetrahydro-α-methyl-N-[3-[3-(trifluoromethyl)phenyl]propyl]-, (αR)-
CAS Number:
1229224-93-4
Molecular Formula:
C22H26F3N
Molecular Weight:
361.4437
MDL Number:
MFCD28167920
IUPAC Name:
N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine
InChI:
InChI=1S/C22H26F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h4-5,7,10-11,13,15-16,26H,2-3,6,8-9,12,14H2,1H3/t16-/m1/s1
InChI Key:
DYEQMULKZQBEKD-MRXNPFEDSA-N
SMILES:
C[C@H](c1cccc2c1CCCC2)NCCCc1cccc(c1)C(F)(F)F
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
361.202g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.452g/mol
Monoisotopic Mass:
361.202g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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