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Chemical ID: 5168329
Chemical ID:
5168329
Name [?]:
2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine
SMILES [?]:
CC1CCc2ccccc2N1CCN
InChi [?]:
InChI=1/C12H18N2/c1-10-6-7-11-4-2-3-5-12(11)14(10)9-8-13/h2-5,10H,6-9,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,6,9,3,4,13,12,2,5,10,14,11/rA:14cCCCCCCCCCCNCCN/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s11;s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18N2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.5045 |
Area: | 356.817 |
Solvation: | -1.41593 |
Coulombic: | -19.7835 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 190.285 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.12 |
LogP (Chemaxon): | 2.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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