Chemical ID: 4327424

Cc1cc(cc(c1Cl)C)OCC(CNC(C)(C)C)O
Chemical ID:
4327424
Name [?]:
1-(4-chloro-3,5-dimethyl-phenoxy)-3-tert-butylamino-propan-2-ol
SMILES [?]:
Cc1cc(cc(c1Cl)C)OCC(CNC(C)(C)C)O
InChi [?]:
InChI=1/C15H24ClNO2/c1-10-6-13(7-11(2)14(10)16)19-9-12(18)8-17-15(3,4)5/h6-7,12,17-18H,8-9H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,9,16,17,18,3,5,13,11,2,6,12,4,7,15,8,14,19,10/E:(1,2)(3,4,5)(6,7)(10,11)/rA:19cCCCCCCCClCOCCCNCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;s11;s12;s13;s14;s15;s15;s15;s12;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H24ClNO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:8.36048
Area:504.664
Solvation:-4.25611
Coulombic:-33.1145
Bond Count [?]
All:19
Single:16
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:285.809
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.25
LogP (Chemaxon):3.33

Name Annotations

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Descriptor Annotations

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