Chemical ID: 5326276

c1ccc(cc1)C2CNCc3c2cccc3
Chemical ID:
5326276
Name [?]:
4-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILES [?]:
c1ccc(cc1)C2CNCc3c2cccc3
InChi [?]:
InChI=1/C15H15N/c1-2-6-12(7-3-1)15-11-16-10-13-8-4-5-9-14(13)15/h1-9,15-16H,10-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,15,14,3,5,16,13,10,8,4,11,12,7,9/E:(2,3)(6,7)/rA:16cCCCCCCCCNCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15N
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:8.19338
Area:378.009
Solvation:-1.25684
Coulombic:-12.1303
Bond Count [?]
All:18
Single:12
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:209.286
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.87
LogP (Chemaxon):3.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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