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Chemical ID: 5084023
Chemical ID:
5084023
Name [?]:
N-[[3-(diethylaminomethyl)-2,4,6-trimethyl-phenyl]methyl]-N-ethyl-ethanamine
SMILES [?]:
CCN(CC)Cc1c(cc(c(c1C)CN(CC)CC)C)C
InChi [?]:
InChI=1/C19H34N2/c1-8-20(9-2)13-18-15(5)12-16(6)19(17(18)7)14-21(10-3)11-4/h12H,8-11,13-14H2,1-7H3
InChi Info:
AuxInfo=1/0/N:1,5,17,19,21,20,13,2,4,16,18,9,6,14,8,10,12,7,11,3,15/E:(1,2,3,4)(5,6)(8,9,10,11)(13,14)(15,16)(18,19)(20,21)/rA:21nCCNCCCCCCCCCCCNCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;d8;s9;d10;d7s11;s12;s11;s14;s15;s16;s15;s18;s10;s8;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H34N2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8127 |
Area: | 504.254 |
Solvation: | -1.79369 |
Coulombic: | -10.9397 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 290.487 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.53 |
LogP (Chemaxon): | 4.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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