Chemical ID: 3934470

Cc1cc(c2c(c1)cc(c(n2)Cl)CNC3CCCCC3)C
Chemical ID:
3934470
Name [?]:
N-[(2-chloro-6,8-dimethyl-3-quinolyl)methyl]cyclohexanamine
SMILES [?]:
Cc1cc(c2c(c1)cc(c(n2)Cl)CNC3CCCCC3)C
InChi [?]:
InChI=1/C18H23ClN2/c1-12-8-13(2)17-14(9-12)10-15(18(19)21-17)11-20-16-6-4-3-5-7-16/h8-10,16,20H,3-7,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,18,17,19,16,20,3,7,8,13,2,4,6,9,15,5,10,12,14,11/E:(4,5)(6,7)/rA:21nCCCCCCCCCCNClCNCCCCCCC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;s9;s13;s14;s15;s16;s17;s18;s15s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23ClN2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:11.2296
Area:505.01
Solvation:-1.39564
Coulombic:-17.0714
Bond Count [?]
All:23
Single:18
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:302.841
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.84
LogP (Chemaxon):5.07

Name Annotations

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Descriptor Annotations

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