Chemical ID: 6853165

Cc1ccc(cc1)N2Cc3ccccc3C=C2N
Chemical ID:
6853165
Name [?]:
2-(p-tolyl)-1H-isoquinolin-3-amine
SMILES [?]:
Cc1ccc(cc1)N2Cc3ccccc3C=C2N
InChi [?]:
InChI=1/C16H16N2/c1-12-6-8-15(9-7-12)18-11-14-5-3-2-4-13(14)10-16(18)17/h2-10H,11,17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,11,3,7,4,6,16,9,2,15,10,5,17,18,8/E:(6,7)(8,9)/rA:18nCCCCCCCNCCCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;s8d16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16N2
All Atoms:34
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.04907
Area:421.954
Solvation:-1.49979
Coulombic:-24.6208
Bond Count [?]
All:20
Single:13
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:236.312
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:4.3
LogP (Chemaxon):4.33

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Descriptor Annotations

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