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Chemical ID: 5070368
Chemical ID:
5070368
Name [?]:
1-(2-ethoxy-1-naphthyl)ethanamine
SMILES [?]:
CCOc1ccc2ccccc2c1C(C)N
InChi [?]:
InChI=1/C14H17NO/c1-3-16-13-9-8-11-6-4-5-7-12(11)14(13)10(2)15/h4-10H,3,15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,9,10,8,11,6,5,14,7,12,4,13,16,3/rA:16cCCOCCCCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;d7s11;d4s12;s13;s14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.90455 |
Area: | 392.153 |
Solvation: | -1.89929 |
Coulombic: | -21.9027 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 215.291 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 3.27 |
LogP (Chemaxon): | 2.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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