Chemical ID: 4247959

CCN(CC)CCOc1ccccc1C(=O)C
Chemical ID:
4247959
Name [?]:
1-[2-(2-diethylaminoethoxy)phenyl]ethanone
SMILES [?]:
CCN(CC)CCOc1ccccc1C(=O)C
InChi [?]:
InChI=1/C14H21NO2/c1-4-15(5-2)10-11-17-14-9-7-6-8-13(14)12(3)16/h6-9H,4-5,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,17,2,4,12,11,13,10,6,7,15,14,9,3,16,8/E:(1,2)(4,5)/rA:17nCCNCCCCOCCCCCCCOC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21NO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:5.99486
Area:439.443
Solvation:-4.99122
Coulombic:-18.1467
Bond Count [?]
All:17
Single:13
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:235.322
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.48
LogP (Chemaxon):1.77

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Descriptor Annotations

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