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Chemical ID: 7243816
Chemical ID:
7243816
Name [?]:
N-[(4-methoxyphenyl)methyl]-1-(2-thienyl)propan-2-amine
SMILES [?]:
CC(Cc1cccs1)NCc2ccc(cc2)OC
InChi [?]:
InChI=1/C15H19NOS/c1-12(10-15-4-3-9-18-15)16-11-13-5-7-14(17-2)8-6-13/h3-9,12,16H,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,6,5,12,16,13,15,7,3,10,2,11,14,4,9,17,8/E:(5,6)(7,8)/rA:18cCCCCCCCSNCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;s4s7;s2;s9;s10;s11;d12;s13;d14;d11s15;s14;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H19NOS |
All Atoms: | 37 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.08214 |
Area: | 470.691 |
Solvation: | -2.68514 |
Coulombic: | -18.2467 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.84 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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