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Chemical ID: 4951900
Chemical ID:
4951900
Name [?]:
N-benzyl-2-methyl-aniline
SMILES [?]:
Cc1ccccc1NCc2ccccc2
InChi [?]:
InChI=1/C14H15N/c1-12-7-5-6-10-14(12)15-11-13-8-3-2-4-9-13/h2-10,15H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,4,5,3,11,15,6,9,2,10,7,8/E:(3,4)(8,9)/rA:15nCCCCCCCNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15N |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.65954 |
Area: | 394.478 |
Solvation: | -1.20242 |
Coulombic: | -14.8649 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 197.276 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.6 |
LogP (Chemaxon): | 3.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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