Chemical ID: 7102590

CCCCNCc1ccc(c(c1)OCC)OC
Chemical ID:
7102590
Name [?]:
N-[(3-ethoxy-4-methoxy-phenyl)methyl]butan-1-amine
SMILES [?]:
CCCCNCc1ccc(c(c1)OCC)OC
InChi [?]:
InChI=1/C14H23NO2/c1-4-6-9-15-11-12-7-8-13(16-3)14(10-12)17-5-2/h7-8,10,15H,4-6,9,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,17,2,14,3,8,9,4,12,6,7,10,11,5,16,13/rA:17nCCCCNCCCCCCCOCCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s13;s14;s10;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H23NO2
All Atoms:40
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.41826
Area:471.121
Solvation:-4.35975
Coulombic:-24.2112
Bond Count [?]
All:17
Single:14
Double:3
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:237.338
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.87
LogP (Chemaxon):2.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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