Chemical ID: 7106740

CCOc1ccc(cc1OCC)CNCCN2CCOCC2
Chemical ID:
7106740
Name [?]:
N-[(3,4-diethoxyphenyl)methyl]-2-morpholino-ethanamine
SMILES [?]:
CCOc1ccc(cc1OCC)CNCCN2CCOCC2
InChi [?]:
InChI=1/C17H28N2O3/c1-3-21-16-6-5-15(13-17(16)22-4-2)14-18-7-8-19-9-11-20-12-10-19/h5-6,13,18H,3-4,7-12,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,11,6,5,15,16,18,22,19,21,8,13,7,4,9,14,17,20,3,10/E:(9,10)(11,12)/rA:22nCCOCCCCCCOCCCNCCNCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;s13;s14;s15;s16;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H28N2O3
All Atoms:50
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.79414
Area:557.076
Solvation:-6.13275
Coulombic:-36.3195
Bond Count [?]
All:23
Single:20
Double:3
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:308.416
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.4
LogP (Chemaxon):1.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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