Chemical ID: 6130004

CCCCCc1ccccc1OCCN(CC)CC
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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Descriptor Annotations

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