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Chemical ID: 5162773
Chemical ID:
5162773
Name [?]:
N,N-dibenzyl-2-methyl-propan-2-amine
SMILES [?]:
CC(C)(C)N(Cc1ccccc1)Cc2ccccc2
InChi [?]:
InChI=1/C18H23N/c1-18(2,3)19(14-16-10-6-4-7-11-16)15-17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,10,17,9,11,16,18,8,12,15,19,6,13,7,14,2,5/E:(1,2,3)(4,5)(6,7,8,9)(10,11,12,13)(14,15)(16,17)/rA:19nCCCCNCCCCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;d10;d7s11;s5;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23N |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.66985 |
Area: | 434.684 |
Solvation: | -1.19724 |
Coulombic: | -9.08475 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 253.382 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.78 |
LogP (Chemaxon): | 4.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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