Chemical ID: 7102680

CCOc1cc(ccc1OC)CNCC2CCCO2
Chemical ID:
7102680
Name [?]:
1-(3-ethoxy-4-methoxy-phenyl)-N-(tetrahydrofuran-2-ylmethyl)methanamine
SMILES [?]:
CCOc1cc(ccc1OC)CNCC2CCCO2
InChi [?]:
InChI=1/C15H23NO3/c1-3-18-15-9-12(6-7-14(15)17-2)10-16-11-13-5-4-8-19-13/h6-7,9,13,16H,3-5,8,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,17,16,7,8,18,5,12,14,6,15,9,4,13,10,3,19/rA:19cCCOCCCCCCOCCNCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s6;s12;s13;s14;s15;s16;s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H23NO3
All Atoms:42
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:5.80718
Area:489.172
Solvation:-6.42212
Coulombic:-30.3342
Bond Count [?]
All:20
Single:17
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:265.348
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.87
LogP (Chemaxon):1.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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