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Chemical ID: 7106987
Chemical ID:
7106987
Name [?]:
N-[(4-benzyloxyphenyl)methyl]-2-methyl-propan-2-amine
SMILES [?]:
CC(C)(C)NCc1ccc(cc1)OCc2ccccc2
InChi [?]:
InChI=1/C18H23NO/c1-18(2,3)19-13-15-9-11-17(12-10-15)20-14-16-7-5-4-6-8-16/h4-12,19H,13-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,18,17,19,16,20,8,12,9,11,6,14,7,15,10,2,5,13/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/rA:20nCCCCNCCCCCCCOCCCCCCC/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23NO |
All Atoms: | 43 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.88396 |
Area: | 500.752 |
Solvation: | -2.63483 |
Coulombic: | -19.2813 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 269.381 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.46 |
LogP (Chemaxon): | 3.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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