Chemical ID: 6663519

c1cc(cc(c1)OCCCCCOc2cccc(c2)N)N
Chemical ID:
6663519
Name [?]:
3-[5-(3-aminophenoxy)pentoxy]aniline
SMILES [?]:
c1cc(cc(c1)OCCCCCOc2cccc(c2)N)N
InChi [?]:
InChI=1/C17H22N2O2/c18-14-6-4-8-16(12-14)20-10-2-1-3-11-21-17-9-5-7-15(19)13-17/h4-9,12-13H,1-3,10-11,18-19H2
InChi Info:
AuxInfo=1/0/N:10,9,11,1,16,2,17,6,15,8,12,4,19,3,18,5,14,21,20,7,13/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)/rA:21nCCCCCCOCCCCCOCCCCCCNN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.46905
Area:535.234
Solvation:-3.91181
Coulombic:-49.0431
Bond Count [?]
All:22
Single:16
Double:6
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:286.369
H-Bond Donors:4
H-Bond Acceptors:4
XLogP:3.1
LogP (Chemaxon):2.74

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Descriptor Annotations

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