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Chemical ID: 7100903
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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