Chemical ID: 4241973

COc1ccc(cc1)OCCNC2CCCC2
Chemical ID:
4241973
Name [?]:
N-[2-(4-methoxyphenoxy)ethyl]cyclopentanamine
SMILES [?]:
COc1ccc(cc1)OCCNC2CCCC2
InChi [?]:
InChI=1/C14H21NO2/c1-16-13-6-8-14(9-7-13)17-11-10-15-12-4-2-3-5-12/h6-9,12,15H,2-5,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,16,14,17,4,8,5,7,11,10,13,3,6,12,2,9/E:(2,3)(4,5)(6,7)(8,9)/rA:17nCOCCCCCCOCCNCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s14;s15;s13s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21NO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.70608
Area:445.656
Solvation:-3.43533
Coulombic:-24.2011
Bond Count [?]
All:18
Single:15
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:235.322
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.73
LogP (Chemaxon):2.35

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