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Chemical ID: 4970997
Chemical ID:
4970997
Name [?]:
N-ethyl-N-[2-(2-methylphenoxy)ethyl]ethanamine
SMILES [?]:
CCN(CC)CCOc1ccccc1C
InChi [?]:
InChI=1/C13H21NO/c1-4-14(5-2)10-11-15-13-9-7-6-8-12(13)3/h6-9H,4-5,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,15,2,4,12,11,13,10,6,7,14,9,3,8/E:(1,2)(4,5)/rA:15nCCNCCCCOCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H21NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.65059 |
Area: | 414.983 |
Solvation: | -2.72397 |
Coulombic: | -13.2267 |
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: | 2.86 |
LogP (Chemaxon): | 2.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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