Chemical ID: 7100903

C=CCOc1ccc(cc1)CNC2CCCCC2
Chemical ID:
7100903
Name [?]:
N-[(4-allyloxyphenyl)methyl]cyclohexanamine
SMILES [?]:
C=CCOc1ccc(cc1)CNC2CCCCC2
InChi [?]:
InChI=1/C16H23NO/c1-2-12-18-16-10-8-14(9-11-16)13-17-15-6-4-3-5-7-15/h2,8-11,15,17H,1,3-7,12-13H2
InChi Info:
AuxInfo=1/0/N:1,2,16,15,17,14,18,7,9,6,10,3,11,8,13,5,12,4/E:(4,5)(6,7)(8,9)(10,11)/rA:18nCCCOCCCCCCCNCCCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H23NO
All Atoms:41
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.46321
Area:470.809
Solvation:-2.30701
Coulombic:-19.7485
Bond Count [?]
All:19
Single:15
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:245.36
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.89
LogP (Chemaxon):3.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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