Chemical ID: 7091142

COc1ccc(cc1)CN2CC3CC2CN3
Chemical ID:
7091142
Name [?]:
5-[(4-methoxyphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
SMILES [?]:
COc1ccc(cc1)CN2CC3CC2CN3
InChi [?]:
InChI=1/C13H18N2O/c1-16-13-4-2-10(3-5-13)8-15-9-11-6-12(15)7-14-11/h2-5,11-12,14H,6-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,4,8,13,15,9,11,6,12,14,3,16,10,2/E:(2,3)(4,5)/rA:16cCOCCCCCCCNCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s10s13;s14;s12s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18N2O
All Atoms:34
Heavy Atoms:16
Chiral Atoms:3
ZAP Information [?]
Total:6.76396
Area:393.471
Solvation:-3.07282
Coulombic:-20.7904
Bond Count [?]
All:18
Single:15
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:218.295
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.31
LogP (Chemaxon):1.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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