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Chemical ID: 5168328
Chemical ID:
5168328
Name [?]:
2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
SMILES [?]:
c1ccc2c(c1)CCN(C2)CCN
InChi [?]:
InChI=1/C11H16N2/c12-6-8-13-7-5-10-3-1-2-4-11(10)9-13/h1-4H,5-9,12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,12,8,11,10,5,4,13,9/rA:13cCCCCCCCCNCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s9;s11;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16N2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.41016 |
Area: | 351.579 |
Solvation: | -1.37931 |
Coulombic: | -18.4309 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 176.258 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 0.84 |
LogP (Chemaxon): | 1.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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