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Chemical ID: 4178768
Chemical ID:
4178768
Name [?]:
N-(cyclohexylmethyl)-4-methoxy-aniline
SMILES [?]:
COc1ccc(cc1)NCC2CCCCC2
InChi [?]:
InChI=1/C14H21NO/c1-16-14-9-7-13(8-10-14)15-11-12-5-3-2-4-6-12/h7-10,12,15H,2-6,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,12,16,5,7,4,8,10,11,6,3,9,2/E:(3,4)(5,6)(7,8)(9,10)/rA:16nCOCCCCCCNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.31774 |
Area: | 420.096 |
Solvation: | -2.18465 |
Coulombic: | -20.5983 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 219.323 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.03 |
LogP (Chemaxon): | 3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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