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Chemical ID: 4182009
Chemical ID:
4182009
Name [?]:
N-(2-methoxycyclohexyl)aniline
SMILES [?]:
COC1CCCCC1Nc2ccccc2
InChi [?]:
InChI=1/C13H19NO/c1-15-13-10-6-5-9-12(13)14-11-7-3-2-4-8-11/h2-4,7-8,12-14H,5-6,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,6,5,11,15,7,4,10,8,3,9,2/E:(3,4)(7,8)/rA:15cCOCCCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;s9;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.00022 |
Area: | 387.571 |
Solvation: | -2.68907 |
Coulombic: | -21.0257 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 205.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.77 |
LogP (Chemaxon): | 2.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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