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Chemical ID: 7102924
Chemical ID:
7102924
Name [?]:
N-[(4-methoxyphenyl)methyl]-2-methyl-propan-1-amine
SMILES [?]:
CC(C)CNCc1ccc(cc1)OC
InChi [?]:
InChI=1/C12H19NO/c1-10(2)8-13-9-11-4-6-12(14-3)7-5-11/h4-7,10,13H,8-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,14,8,12,9,11,4,6,2,7,10,5,13/E:(1,2)(4,5)(6,7)/rA:14nCCCCNCCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19NO |
All Atoms: | 33 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.6771 |
Area: | 400.064 |
Solvation: | -2.3245 |
Coulombic: | -17.658 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 193.285 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.53 |
LogP (Chemaxon): | 2.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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