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Chemical ID: 4182385
Chemical ID:
4182385
Name [?]:
N-[3-(2-ethylphenoxy)propyl]-2-methyl-propan-2-amine
SMILES [?]:
CCc1ccccc1OCCCNC(C)(C)C
InChi [?]:
InChI=1/C15H25NO/c1-5-13-9-6-7-10-14(13)17-12-8-11-16-15(2,3)4/h6-7,9-10,16H,5,8,11-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,15,16,17,2,5,6,11,4,7,12,10,3,8,14,13,9/E:(2,3,4)/rA:17nCCCCCCCCOCCCNCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s13;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H25NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.45004 |
Area: | 464.333 |
Solvation: | -2.15829 |
Coulombic: | -18.0715 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 235.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.9 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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