Chemical ID: 6047012

Cc1ccc(cc1)C(C(C)NC(C)C)O
Chemical ID:
6047012
Name [?]:
2-isopropylamino-1-(p-tolyl)propan-1-ol
SMILES [?]:
Cc1ccc(cc1)C(C(C)NC(C)C)O
InChi [?]:
InChI=1/C13H21NO/c1-9(2)14-11(4)13(15)12-7-5-10(3)6-8-12/h5-9,11,13-15H,1-4H3
InChi Info:
AuxInfo=1/0/N:13,14,1,10,3,7,4,6,12,2,9,5,8,11,15/E:(1,2)(5,6)(7,8)/rA:15cCCCCCCCCCCNCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s9;s11;s12;s12;s8;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H21NO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:2
ZAP Information [?]
Total:8.2384
Area:408.604
Solvation:-1.97669
Coulombic:-27.7932
Bond Count [?]
All:15
Single:12
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:207.312
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:2.71
LogP (Chemaxon):2.84

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