Chemical ID: 4285972

CCN(CC)CCCCCOc1ccccc1Cl
Chemical ID:
4285972
Name [?]:
5-(2-chlorophenoxy)-N,N-diethyl-pentan-1-amine
SMILES [?]:
CCN(CC)CCCCCOc1ccccc1Cl
InChi [?]:
InChI=1/C15H24ClNO/c1-3-17(4-2)12-8-5-9-13-18-15-11-7-6-10-14(15)16/h6-7,10-11H,3-5,8-9,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,8,15,14,7,9,16,13,6,10,17,12,18,3,11/E:(1,2)(3,4)/rA:18nCCNCCCCCCCOCCCCCCCl/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H24ClNO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:10.4217
Area:514.298
Solvation:-2.4358
Coulombic:-14.9769
Bond Count [?]
All:18
Single:15
Double:3
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:269.81
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.33
LogP (Chemaxon):3.88

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