Chemical ID: 4515635

CN(C)CCc1c[nH]c2c1cc(cc2)O
Chemical ID:
4515635
Name [?]:
3-(2-dimethylaminoethyl)-1H-indol-5-ol
SMILES [?]:
CN(C)CCc1c[nH]c2c1cc(cc2)O
InChi [?]:
InChI=1/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,13,14,5,4,11,7,6,12,10,9,8,2,15/E:(1,2)/rA:15nCNCCCCCNCCCCCCO/rB:s1;s2;s2;s4;s5;d6;s7;s8;s6s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16N2O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.49225
Area:392.489
Solvation:-2.31998
Coulombic:-31.8352
Bond Count [?]
All:16
Single:12
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:204.268
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.6
LogP (Chemaxon):1.7

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