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Chemical ID: 7104404
Chemical ID:
7104404
Name [?]:
N-(tetrahydrofuran-2-ylmethyl)-1-(2,4,5-trimethoxyphenyl)-methanamine
SMILES [?]:
COc1cc(c(cc1OC)OC)CNCC2CCCO2
InChi [?]:
InChI=1/C15H23NO4/c1-17-13-8-15(19-3)14(18-2)7-11(13)9-16-10-12-5-4-6-20-12/h7-8,12,16H,4-6,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:12,1,10,18,17,19,4,7,13,15,5,16,6,3,8,14,11,2,9,20/rA:20cCOCCCCCCOCOCCNCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s5;s13;s14;s15;s16;s17;s18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO4 |
All Atoms: | 43 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.86369 |
Area: | 492.984 |
Solvation: | -7.46091 |
Coulombic: | -36.399 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 281.347 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.36 |
LogP (Chemaxon): | 1.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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