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Chemical ID: 7061779
Chemical ID:
7061779
Name [?]:
N,N-bis(2-methoxyethyl)-3-phenoxy-propan-1-amine
SMILES [?]:
COCCN(CCCOc1ccccc1)CCOC
InChi [?]:
InChI=1/C15H25NO3/c1-17-13-10-16(11-14-18-2)9-6-12-19-15-7-4-3-5-8-15/h3-5,7-8H,6,9-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,13,12,14,7,11,15,6,4,16,8,3,17,10,5,2,18,9/E:(1,2)(4,5)(7,8)(10,11)(13,14)(17,18)/rA:19nCOCCNCCCOCCCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s5;s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H25NO3 |
All Atoms: | 44 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.61082 |
Area: | 489.48 |
Solvation: | -5.62619 |
Coulombic: | -27.3139 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 267.364 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.77 |
LogP (Chemaxon): | 1.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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