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Chemical ID: 4413866
Chemical ID:
4413866
Name [?]:
4-(3-ethylphenoxy)-N-(3-methoxypropyl)butan-1-amine
SMILES [?]:
CCc1cccc(c1)OCCCCNCCCOC
InChi [?]:
InChI=1/C16H27NO2/c1-3-15-8-6-9-16(14-15)19-13-5-4-10-17-11-7-12-18-2/h6,8-9,14,17H,3-5,7,10-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,2,12,11,5,16,4,6,13,15,17,10,8,3,7,14,18,9/rA:19nCCCCCCCCOCCCCNCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H27NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.4423 |
Area: | 534.883 |
Solvation: | -3.92978 |
Coulombic: | -25.4813 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 265.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.34 |
LogP (Chemaxon): | 2.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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