Chemical ID: 7104404

COc1cc(c(cc1OC)OC)CNCC2CCCO2
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

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Experimental Annotations

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Descriptor Annotations

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