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Chemical ID: 7061675
Chemical ID:
7061675
Name [?]:
N-butyl-N-[2-(2-methylphenoxy)ethyl]butan-1-amine
SMILES [?]:
CCCCN(CCCC)CCOc1ccccc1C
InChi [?]:
InChI=1/C17H29NO/c1-4-6-12-18(13-7-5-2)14-15-19-17-11-9-8-10-16(17)3/h8-11H,4-7,12-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,9,19,2,8,3,7,16,15,17,14,4,6,10,11,18,13,5,12/E:(1,2)(4,5)(6,7)(12,13)/rA:19nCCCCNCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H29NO |
All Atoms: | 48 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3182 |
Area: | 521.923 |
Solvation: | -2.72985 |
Coulombic: | -14.6514 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 263.418 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.72 |
LogP (Chemaxon): | 4.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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