Chemical ID: 5529279

CCN1CCCC1CNCc2ccc(cc2)OCC
Chemical ID:
5529279
Name [?]:
N-[(4-ethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-methanamine
SMILES [?]:
CCN1CCCC1CNCc2ccc(cc2)OCC
InChi [?]:
InChI=1/C16H26N2O/c1-3-18-11-5-6-15(18)13-17-12-14-7-9-16(10-8-14)19-4-2/h7-10,15,17H,3-6,11-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,2,18,5,6,12,16,13,15,4,10,8,11,7,14,9,3,17/E:(7,8)(9,10)/rA:19cCCNCCCCCNCCCCCCCOCC/rB:s1;s2;s3;s4;s5;s3s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H26N2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:9.48829
Area:492.257
Solvation:-2.81812
Coulombic:-22.148
Bond Count [?]
All:20
Single:17
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:262.391
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.69
LogP (Chemaxon):2.38

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