Chemical ID: 5832402

CCOc1cc(ccc1O)CNC2CCCC2
Chemical ID:
5832402
Name [?]:
4-(cyclopentylaminomethyl)-2-ethoxy-phenol
SMILES [?]:
CCOc1cc(ccc1O)CNC2CCCC2
InChi [?]:
InChI=1/C14H21NO2/c1-2-17-14-9-11(7-8-13(14)16)10-15-12-5-3-4-6-12/h7-9,12,15-16H,2-6,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,16,14,17,7,8,5,11,6,13,9,4,12,10,3/E:(3,4)(5,6)/rA:17nCCOCCCCCCOCNCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;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:7.77389
Area:446.366
Solvation:-3.38527
Coulombic:-33.2297
Bond Count [?]
All:18
Single:15
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:235.322
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.73
LogP (Chemaxon):2.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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