Chemical ID: 7061719

Cc1cccc(c1)OCCN(C)C2CCCCC2
Chemical ID:
7061719
Name [?]:
N-methyl-N-[2-(3-methylphenoxy)ethyl]cyclohexanamine
SMILES [?]:
Cc1cccc(c1)OCCN(C)C2CCCCC2
InChi [?]:
InChI=1/C16H25NO/c1-14-7-6-10-16(13-14)18-12-11-17(2)15-8-4-3-5-9-15/h6-7,10,13,15H,3-5,8-9,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,16,15,17,4,3,14,18,5,10,9,7,2,13,6,11,8/E:(4,5)(8,9)/rA:18cCCCCCCCOCCNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s11;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H25NO
All Atoms:43
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:8.71949
Area:459.711
Solvation:-2.77329
Coulombic:-13.7937
Bond Count [?]
All:19
Single:16
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:247.376
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.05
LogP (Chemaxon):3.83

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