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Chemical ID: 6129988
Chemical ID:
6129988
Name [?]:
2-[(2-butyl-1-naphthyl)oxy]-N,N-dimethyl-ethanamine
SMILES [?]:
CCCCc1ccc2ccccc2c1OCCN(C)C
InChi [?]:
InChI=1/C18H25NO/c1-4-5-8-16-12-11-15-9-6-7-10-17(15)18(16)20-14-13-19(2)3/h6-7,9-12H,4-5,8,13-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,20,2,3,10,11,4,9,12,7,6,17,16,8,5,13,14,18,15/E:(2,3)/rA:20nCCCCCCCCCCCCCCOCCNCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;d9;s10;d11;d8s12;d5s13;s14;s15;s16;s17;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H25NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.59486 |
Area: | 489.051 |
Solvation: | -2.63141 |
Coulombic: | -15.3399 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 271.397 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.88 |
LogP (Chemaxon): | 4.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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