Chemical ID: 6993974

CC(C)c1ccccc1OCC(CNC(C)C)O
Chemical ID:
6993974
Name [?]:
1-isopropylamino-3-(2-isopropylphenoxy)-propan-2-ol
SMILES [?]:
CC(C)c1ccccc1OCC(CNC(C)C)O
InChi [?]:
InChI=1/C15H25NO2/c1-11(2)14-7-5-6-8-15(14)18-10-13(17)9-16-12(3)4/h5-8,11-13,16-17H,9-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,16,17,6,7,5,8,13,11,2,15,12,4,9,14,18,10/E:(1,2)(3,4)/rA:18cCCCCCCCCCOCCCNCCCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;s15;s15;s12;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H25NO2
All Atoms:43
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:7.87563
Area:484.029
Solvation:-4.22509
Coulombic:-33.9286
Bond Count [?]
All:18
Single:15
Double:3
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:251.365
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.96
LogP (Chemaxon):2.99

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue