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Chemical ID: 5177620
Chemical ID:
5177620
Name [?]:
N-ethyl-3-phenyl-norbornan-2-amine
SMILES [?]:
CCNC1C2CCC(C2)C1c3ccccc3
InChi [?]:
InChI=1/C15H21N/c1-2-16-15-13-9-8-12(10-13)14(15)11-6-4-3-5-7-11/h3-7,12-16H,2,8-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,13,15,12,16,7,6,9,11,8,5,10,4,3/E:(4,5)(6,7)/rA:16cCCNCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s4s8;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21N |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 8.82876 |
Area: | 381.414 |
Solvation: | -0.706601 |
Coulombic: | -11.7559 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 215.334 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.35 |
LogP (Chemaxon): | 3.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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