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Chemical ID: 6130004
Chemical ID:
6130004
Name [?]:
N,N-diethyl-2-(2-pentylphenoxy)-ethanamine
SMILES [?]:
CCCCCc1ccccc1OCCN(CC)CC
InChi [?]:
InChI=1/C17H29NO/c1-4-7-8-11-16-12-9-10-13-17(16)19-15-14-18(5-2)6-3/h9-10,12-13H,4-8,11,14-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,19,2,16,18,3,4,8,9,5,7,10,14,13,6,11,15,12/E:(2,3)(5,6)/rA:19nCCCCCCCCCCCOCCNCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s13;s14;s15;s16;s15;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H29NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2009 |
Area: | 515.724 |
Solvation: | -2.69225 |
Coulombic: | -14.5473 |
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: | 5.03 |
LogP (Chemaxon): | 4.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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