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Chemical ID: 7108946
Chemical ID:
7108946
Name [?]:
N-[(5-chloro-2-methoxy-phenyl)methyl]-1-phenyl-ethanamine
SMILES [?]:
CC(c1ccccc1)NCc2cc(ccc2OC)Cl
InChi [?]:
InChI=1/C16H18ClNO/c1-12(13-6-4-3-5-7-13)18-11-14-10-15(17)8-9-16(14)19-2/h3-10,12,18H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,6,5,7,4,8,14,15,12,10,2,3,11,13,16,19,9,17/E:(4,5)(6,7)/rA:19cCCCCCCCCNCCCCCCCOCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s13;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18ClNO |
All Atoms: | 37 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.1723 |
Area: | 486.6 |
Solvation: | -2.99269 |
Coulombic: | -18.4433 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 275.773 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.31 |
LogP (Chemaxon): | 4.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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