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Chemical ID: 4413474
Chemical ID:
4413474
Name [?]:
4-(3-ethylphenoxy)-N-(2-methoxyethyl)butan-1-amine
SMILES [?]:
CCc1cccc(c1)OCCCCNCCOC
InChi [?]:
InChI=1/C15H25NO2/c1-3-14-7-6-8-15(13-14)18-11-5-4-9-16-10-12-17-2/h6-8,13,16H,3-5,9-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,12,11,5,4,6,13,15,10,16,8,3,7,14,17,9/rA:18nCCCCCCCCOCCCCNCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;s12;s13;s14;s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H25NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.36481 |
Area: | 509.023 |
Solvation: | -4.36077 |
Coulombic: | -24.7893 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 251.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.98 |
LogP (Chemaxon): | 2.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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