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Chemical ID: 4123690
Chemical ID:
4123690
Name [?]:
N-[(2,5-dimethoxyphenyl)methyl]-2-morpholino-ethanamine
SMILES [?]:
COc1ccc(c(c1)CNCCN2CCOCC2)OC
InChi [?]:
InChI=1/C15H24N2O3/c1-18-14-3-4-15(19-2)13(11-14)12-16-5-6-17-7-9-20-10-8-17/h3-4,11,16H,5-10,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,4,5,11,12,14,18,15,17,8,9,7,3,6,10,13,2,19,16/E:(7,8)(9,10)/rA:20nCOCCCCCCCNCCNCCOCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;s12;s13;s14;s15;s16;s13s17;s6;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.13302 |
Area: | 497.615 |
Solvation: | -5.30736 |
Coulombic: | -35.9594 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 280.363 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 0.82 |
LogP (Chemaxon): | 0.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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