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Chemical ID: 5829694
Chemical ID:
5829694
Name [?]:
2-(p-tolylmethyl)-3,4-dihydro-1H-isoquinoline
SMILES [?]:
Cc1ccc(cc1)CN2CCc3ccccc3C2
InChi [?]:
InChI=1/C17H19N/c1-14-6-8-15(9-7-14)12-18-11-10-16-4-2-3-5-17(16)13-18/h2-9H,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,13,16,3,7,4,6,11,10,8,18,2,5,12,17,9/E:(6,7)(8,9)/rA:18cCCCCCCCCNCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s9s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19N |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.13859 |
Area: | 429.682 |
Solvation: | -1.60347 |
Coulombic: | -7.72515 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 237.339 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.77 |
LogP (Chemaxon): | 4.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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