Chemical ID: 4705903

c1cc(ccc1OCCCN)OCCCN
Chemical ID:
4705903
Name [?]:
3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
SMILES [?]:
c1cc(ccc1OCCCN)OCCCN
InChi [?]:
InChI=1/C12H20N2O2/c13-7-1-9-15-11-3-5-12(6-4-11)16-10-2-8-14/h3-6H,1-2,7-10,13-14H2
InChi Info:
AuxInfo=1/0/N:9,14,1,5,2,4,10,15,8,13,6,3,11,16,7,12/E:(1,2)(3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:16nCCCCCCOCCCNOCCCN/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s3;s12;s13;s14;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H20N2O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.42627
Area:451.977
Solvation:-3.87315
Coulombic:-39.0999
Bond Count [?]
All:16
Single:13
Double:3
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:224.299
H-Bond Donors:4
H-Bond Acceptors:4
XLogP:1.02
LogP (Chemaxon):0.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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