Chemical ID: 6670062

CCOc1ccc(cc1)NCc2ccc(cc2)N(C)C
Chemical ID:
6670062
Name [?]:
N-[(4-dimethylaminophenyl)methyl]-4-ethoxy-aniline
SMILES [?]:
CCOc1ccc(cc1)NCc2ccc(cc2)N(C)C
InChi [?]:
InChI=1/C17H22N2O/c1-4-20-17-11-7-15(8-12-17)18-13-14-5-9-16(10-6-14)19(2)3/h5-12,18H,4,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,20,2,13,17,6,8,14,16,5,9,11,12,7,15,4,10,18,3/E:(2,3)(5,6)(7,8)(9,10)(11,12)/rA:20nCCOCCCCCCNCCCCCCCNCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;d13;s14;d15;d12s16;s15;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.59704
Area:503.727
Solvation:-2.99614
Coulombic:-26.6063
Bond Count [?]
All:21
Single:15
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:270.369
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.92
LogP (Chemaxon):3.75

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