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Chemical ID: 4179247
Chemical ID:
4179247
Name [?]:
N-ethyl-N-[2-(3-methylphenoxy)ethyl]ethanamine
SMILES [?]:
CCN(CC)CCOc1cccc(c1)C
InChi [?]:
InChI=1/C13H21NO/c1-4-14(5-2)9-10-15-13-8-6-7-12(3)11-13/h6-8,11H,4-5,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,15,2,4,11,12,10,6,7,14,13,9,3,8/E:(1,2)(4,5)/rA:15nCCNCCCCOCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s11;d12;d9s13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H21NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.28857 |
Area: | 414.894 |
Solvation: | -2.08379 |
Coulombic: | -13.8554 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 207.312 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.07 |
LogP (Chemaxon): | 2.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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