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Chemical ID: 6046964
Chemical ID:
6046964
Name [?]:
4-[(1-methylcyclohexyl)methoxy]aniline
SMILES [?]:
CC1(CCCCC1)COc2ccc(cc2)N
InChi [?]:
InChI=1/C14H21NO/c1-14(9-3-2-4-10-14)11-16-13-7-5-12(15)6-8-13/h5-8H,2-4,9-11,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,4,6,12,14,11,15,3,7,8,13,10,2,16,9/E:(3,4)(5,6)(7,8)(9,10)/rA:16nCCCCCCCCOCCCCCCN/rB:s1;s2;s3;s4;s5;s2s6;s2;s8;s9;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.31103 |
Area: | 407.155 |
Solvation: | -1.86784 |
Coulombic: | -25.8678 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 219.323 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 3.96 |
LogP (Chemaxon): | 3.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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