Chemical ID: 7042777

Cc1cccc(c1)OCC(CNC(C)(C)CO)O
Chemical ID:
7042777
Name [?]:
2-[2-hydroxy-3-(3-methylphenoxy)-propyl]amino-2-methyl-propan-1-ol
SMILES [?]:
Cc1cccc(c1)OCC(CNC(C)(C)CO)O
InChi [?]:
InChI=1/C14H23NO3/c1-11-5-4-6-13(7-11)18-9-12(17)8-15-14(2,3)10-16/h4-7,12,15-17H,8-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,14,15,4,3,5,7,11,9,16,2,10,6,13,12,17,18,8/E:(2,3)/rA:18cCCCCCCCOCCCNCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s13;s13;s16;s10;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H23NO3
All Atoms:41
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:6.79898
Area:472.159
Solvation:-5.005
Coulombic:-50.2735
Bond Count [?]
All:18
Single:15
Double:3
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:253.337
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:1.48
LogP (Chemaxon):1.55

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