Chemical ID: 7102418

COc1cccc(c1OC)CNC2CCCCC2
Chemical ID:
7102418
Name [?]:
N-[(2,3-dimethoxyphenyl)methyl]cyclohexanamine
SMILES [?]:
COc1cccc(c1OC)CNC2CCCCC2
InChi [?]:
InChI=1/C15H23NO2/c1-17-14-10-6-7-12(15(14)18-2)11-16-13-8-4-3-5-9-13/h6-7,10,13,16H,3-5,8-9,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,16,15,17,5,6,14,18,4,11,7,13,3,8,12,2,9/E:(4,5)(8,9)/rA:18nCOCCCCCCOCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s12;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H23NO2
All Atoms:41
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.30126
Area:443.478
Solvation:-3.78568
Coulombic:-24.9717
Bond Count [?]
All:19
Single:16
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:249.349
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.92
LogP (Chemaxon):2.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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