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1148154-91-9 | 2-Thiopheneethanamine, N-propyl-N-[(2S)-1,2,3,4-tetrahydro-5-methoxy-2-naphthalenyl]-
CAS No: 1148154-91-9 Catalog No: AG000FA0 MDL No:
Product Description
Catalog Number:
AG000FA0
Chemical Name:
2-Thiopheneethanamine, N-propyl-N-[(2S)-1,2,3,4-tetrahydro-5-methoxy-2-naphthalenyl]-
CAS Number:
1148154-91-9
Molecular Formula:
C20H27NOS
Molecular Weight:
329.4995
IUPAC Name:
(2S)-5-methoxy-N-propyl-N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
InChI:
InChI=1S/C20H27NOS/c1-3-12-21(13-11-18-7-5-14-23-18)17-9-10-19-16(15-17)6-4-8-20(19)22-2/h4-8,14,17H,3,9-13,15H2,1-2H3/t17-/m0/s1
InChI Key:
AXOQYAWBBDSEMG-KRWDZBQOSA-N
SMILES:
CCCN([C@H]1CCc2c(C1)cccc2OC)CCc1cccs1
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
329.181g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.502g/mol
Monoisotopic Mass:
329.181g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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