Chemical ID: 5829694

Cc1ccc(cc1)CN2CCc3ccccc3C2
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue