Chemical ID: 4586471

CN(CCO)CC(CN(c1ccccc1)c2ccccc2)O
Chemical ID:
4586471
Name [?]:
1-diphenylamino-3-(2-hydroxyethyl-methyl-amino)-propan-2-ol
SMILES [?]:
CN(CCO)CC(CN(c1ccccc1)c2ccccc2)O
InChi [?]:
InChI=1/C18H24N2O2/c1-19(12-13-21)14-18(22)15-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,21-22H,12-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,19,12,14,18,20,11,15,17,21,3,4,6,8,10,16,7,2,9,5,22/E:(2,3)(4,5,6,7)(8,9,10,11)(16,17)/rA:22cCNCCOCCCNCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s2;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s9;s16;d17;s18;d19;d16s20;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H24N2O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:8.06683
Area:514.655
Solvation:-4.79954
Coulombic:-45.5082
Bond Count [?]
All:23
Single:17
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:300.395
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.27
LogP (Chemaxon):2.71

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