Chemical ID: 5412407

CCC(C)NCC(COc1ccc(cc1)C(C)(C)C)O
Chemical ID:
5412407
Name [?]:
1-sec-butylamino-3-(4-tert-butylphenoxy)-propan-2-ol
SMILES [?]:
CCC(C)NCC(COc1ccc(cc1)C(C)(C)C)O
InChi [?]:
InChI=1/C17H29NO2/c1-6-13(2)18-11-15(19)12-20-16-9-7-14(8-10-16)17(3,4)5/h7-10,13,15,18-19H,6,11-12H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,4,17,18,19,2,12,14,11,15,6,8,3,13,7,10,16,5,20,9/E:(3,4,5)(7,8)(9,10)/rA:20cCCCCNCCCOCCCCCCCCCCO/rB:s1;s2;s3;s3;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s16;s16;s16;s7;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H29NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:8.84747
Area:524.574
Solvation:-4.26687
Coulombic:-34.2759
Bond Count [?]
All:20
Single:17
Double:3
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:279.418
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.94
LogP (Chemaxon):3.89

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Descriptor Annotations

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