Chemical ID: 4413866

CCc1cccc(c1)OCCCCNCCCOC
Chemical ID:
4413866
Name [?]:
4-(3-ethylphenoxy)-N-(3-methoxypropyl)butan-1-amine
SMILES [?]:
CCc1cccc(c1)OCCCCNCCCOC
InChi [?]:
InChI=1/C16H27NO2/c1-3-15-8-6-9-16(14-15)19-13-5-4-10-17-11-7-12-18-2/h6,8-9,14,17H,3-5,7,10-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,2,12,11,5,16,4,6,13,15,17,10,8,3,7,14,18,9/rA:19nCCCCCCCCOCCCCNCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H27NO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.4423
Area:534.883
Solvation:-3.92978
Coulombic:-25.4813
Bond Count [?]
All:19
Single:16
Double:3
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:265.391
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.34
LogP (Chemaxon):2.67

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