Chemical ID: 5832444

CCN(CC)c1ccc(cc1)CNCCc2ccccc2
Chemical ID:
5832444
Name [?]:
N,N-diethyl-4-(phenethylaminomethyl)aniline
SMILES [?]:
CCN(CC)c1ccc(cc1)CNCCc2ccccc2
InChi [?]:
InChI=1/C19H26N2/c1-3-21(4-2)19-12-10-18(11-13-19)16-20-15-14-17-8-6-5-7-9-17/h5-13,20H,3-4,14-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,19,18,20,17,21,8,10,7,11,15,14,12,16,9,6,13,3/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)/rA:21nCCNCCCCCCCCCNCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H26N2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:11.6391
Area:537.166
Solvation:-1.79007
Coulombic:-18.1613
Bond Count [?]
All:22
Single:16
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:282.423
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.46
LogP (Chemaxon):4.55

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