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Chemical ID: 4441685
Chemical ID:
4441685
Name [?]:
4-(4-propoxyphenoxy)-N-sec-butyl-butan-1-amine
SMILES [?]:
CCCOc1ccc(cc1)OCCCCNC(C)CC
InChi [?]:
InChI=1/C17H29NO2/c1-4-13-19-16-8-10-17(11-9-16)20-14-7-6-12-18-15(3)5-2/h8-11,15,18H,4-7,12-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,18,2,19,14,13,6,10,7,9,15,3,12,17,5,8,16,4,11/E:(8,9)(10,11)/rA:20cCCCOCCCCCCOCCCCNCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;s16;s17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H29NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.4374 |
Area: | 550.031 |
Solvation: | -3.3134 |
Coulombic: | -25.2781 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 279.418 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.2 |
LogP (Chemaxon): | 3.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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