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Chemical ID: 4255204
Chemical ID:
4255204
Name [?]:
N-(o-tolylmethyl)-1-phenyl-ethanamine
SMILES [?]:
Cc1ccccc1CNC(C)c2ccccc2
InChi [?]:
InChI=1/C16H19N/c1-13-8-6-7-11-16(13)12-17-14(2)15-9-4-3-5-10-15/h3-11,14,17H,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,15,14,16,4,5,3,13,17,6,8,2,10,12,7,9/E:(4,5)(9,10)/rA:17cCCCCCCCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s10;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19N |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.54758 |
Area: | 434.483 |
Solvation: | -1.31448 |
Coulombic: | -12.407 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 225.329 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.21 |
LogP (Chemaxon): | 4.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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