Chemical ID: 7521992

c1cc(ccc1OCC(CNC2CCCC2)O)Cl
Chemical ID:
7521992
Name [?]:
1-(4-chlorophenoxy)-3-cyclopentylamino-propan-2-ol
SMILES [?]:
c1cc(ccc1OCC(CNC2CCCC2)O)Cl
InChi [?]:
InChI=1/C14H20ClNO2/c15-11-5-7-14(8-6-11)18-10-13(17)9-16-12-3-1-2-4-12/h5-8,12-13,16-17H,1-4,9-10H2
InChi Info:
AuxInfo=1/0/N:14,15,13,16,2,4,1,5,10,8,3,12,9,6,18,11,17,7/E:(1,2)(3,4)(5,6)(7,8)/rA:18cCCCCCCOCCCNCCCCCOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s12s15;s9;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20ClNO2
All Atoms:38
Heavy Atoms:18
Chiral Atoms:None
ZAP Information [?]
Total:7.83524
Area:486.624
Solvation:-4.33035
Coulombic:-33.5242
Bond Count [?]
All:19
Single:16
Double:3
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.76
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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