Chemical ID: 7113693

COc1ccc(cc1)CNC2CN3CCC2CC3
Chemical ID:
7113693
Name [?]:
N-[(4-methoxyphenyl)methyl]quinuclidin-3-amine
SMILES [?]:
COc1ccc(cc1)CNC2CN3CCC2CC3
InChi [?]:
InChI=1/C15H22N2O/c1-18-14-4-2-12(3-5-14)10-16-15-11-17-8-6-13(15)7-9-17/h2-5,13,15-16H,6-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,4,8,15,17,14,18,9,12,6,16,3,11,10,13,2/E:(2,3)(4,5)(6,7)(8,9)/rA:18cCOCCCCCCCNCCNCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s14;s11s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22N2O
All Atoms:40
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:8.08033
Area:437.142
Solvation:-2.84822
Coulombic:-21.5226
Bond Count [?]
All:20
Single:17
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:246.348
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.87
LogP (Chemaxon):1.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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