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Chemical ID: 7108508
Chemical ID:
7108508
Name [?]:
N-[(2-methoxyphenyl)methyl]-2,4,4-trimethyl-pentan-2-amine
SMILES [?]:
CC(C)(C)CC(C)(C)NCc1ccccc1OC
InChi [?]:
InChI=1/C16H27NO/c1-15(2,3)12-16(4,5)17-11-13-9-7-8-10-14(13)18-6/h7-10,17H,11-12H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,8,18,13,14,12,15,10,5,11,16,2,6,9,17/E:(1,2,3)(4,5)/rA:18nCCCCCCCCNCCCCCCCOC/rB:s1;s2;s2;s2;s5;s6;s6;s6;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H27NO |
All Atoms: | 45 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.73657 |
Area: | 437.17 |
Solvation: | -2.19268 |
Coulombic: | -17.9854 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 249.392 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.79 |
LogP (Chemaxon): | 3.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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