Chemical ID: 6461311

CCOc1ccccc1CNC(C)(C)CO
Chemical ID:
6461311
Name [?]:
2-[(2-ethoxyphenyl)methylamino]-2-methyl-propan-1-ol
SMILES [?]:
CCOc1ccccc1CNC(C)(C)CO
InChi [?]:
InChI=1/C13H21NO2/c1-4-16-12-8-6-5-7-11(12)9-14-13(2,3)10-15/h5-8,14-15H,4,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,13,14,2,7,6,8,5,10,15,9,4,12,11,16,3/E:(2,3)/rA:16nCCOCCCCCCCNCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s12;s12;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H21NO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.61518
Area:422.779
Solvation:-2.95428
Coulombic:-34.5658
Bond Count [?]
All:16
Single:13
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:223.311
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.04
LogP (Chemaxon):1.71

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Descriptor Annotations

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