Chemical ID: 4297993

CCCCNCCCOc1ccccc1CC
Chemical ID:
4297993
Name [?]:
N-[3-(2-ethylphenoxy)propyl]butan-1-amine
SMILES [?]:
CCCCNCCCOc1ccccc1CC
InChi [?]:
InChI=1/C15H25NO/c1-3-5-11-16-12-8-13-17-15-10-7-6-9-14(15)4-2/h6-7,9-10,16H,3-5,8,11-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,2,16,3,13,12,7,14,11,4,6,8,15,10,5,9/rA:17nCCCCNCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H25NO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.94346
Area:485.065
Solvation:-2.18317
Coulombic:-18.6348
Bond Count [?]
All:17
Single:14
Double:3
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:235.365
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.95
LogP (Chemaxon):3.53

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