Chemical ID: 7086572

CCCCCNCc1ccc(c(c1)OC)OCC
Chemical ID:
7086572
Name [?]:
N-[(4-ethoxy-3-methoxy-phenyl)methyl]pentan-1-amine
SMILES [?]:
CCCCCNCc1ccc(c(c1)OC)OCC
InChi [?]:
InChI=1/C15H25NO2/c1-4-6-7-10-16-12-13-8-9-14(18-5-2)15(11-13)17-3/h8-9,11,16H,4-7,10,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,15,2,17,3,4,9,10,5,13,7,8,11,12,6,14,16/rA:18nCCCCCNCCCCCCCOCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H25NO2
All Atoms:43
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.09681
Area:498.627
Solvation:-4.36886
Coulombic:-24.5181
Bond Count [?]
All:18
Single:15
Double:3
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:251.365
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.44
LogP (Chemaxon):3.01

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