Chemical ID: 7522013

Cc1ccc(cc1C)OCC(CNC2CCCC2)O
Chemical ID:
7522013
Name [?]:
1-cyclopentylamino-3-(3,4-dimethylphenoxy)-propan-2-ol
SMILES [?]:
Cc1ccc(cc1C)OCC(CNC2CCCC2)O
InChi [?]:
InChI=1/C16H25NO2/c1-12-7-8-16(9-13(12)2)19-11-15(18)10-17-14-5-3-4-6-14/h7-9,14-15,17-18H,3-6,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,16,17,15,18,3,4,6,12,10,2,7,14,11,5,13,19,9/E:(3,4)(5,6)/rA:19cCCCCCCCCOCCCNCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;s11;s12;s13;s14;s15;s16;s14s17;s11;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H25NO2
All Atoms:44
Heavy Atoms:19
Chiral Atoms:None
ZAP Information [?]
Total:8.02671
Area:493.283
Solvation:-4.30536
Coulombic:-33.2026
Bond Count [?]
All:20
Single:17
Double:3
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.01
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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