Chemical ID: 4182009

COC1CCCCC1Nc2ccccc2
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

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