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Chemical ID: 4732960
Chemical ID:
4732960
Name [?]:
4-[3-(4-aminophenoxy)propoxy]aniline
SMILES [?]:
c1cc(ccc1N)OCCCOc2ccc(cc2)N
InChi [?]:
InChI=1/C15H18N2O2/c16-12-2-6-14(7-3-12)18-10-1-11-19-15-8-4-13(17)5-9-15/h2-9H,1,10-11,16-17H2
InChi Info:
AuxInfo=1/0/N:10,1,5,15,17,2,4,14,18,9,11,6,16,3,13,7,19,8,12/E:(2,3,4,5)(6,7,8,9)(10,11)(12,13)(14,15)(16,17)(18,19)/rA:19nCCCCCCNOCCCOCCCCCCN/rB:s1;d2;s3;d4;d1s5;s6;s3;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.00787 |
Area: | 481.635 |
Solvation: | -4.03301 |
Coulombic: | -47.9403 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 258.316 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | 2.39 |
LogP (Chemaxon): | 1.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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