Chemical ID: 7061754

CCCN(CCC)CCCOc1ccccc1Cl
Chemical ID:
7061754
Name [?]:
N-[3-(2-chlorophenoxy)propyl]-N-propyl-propan-1-amine
SMILES [?]:
CCCN(CCC)CCCOc1ccccc1Cl
InChi [?]:
InChI=1/C15H24ClNO/c1-3-10-17(11-4-2)12-7-13-18-15-9-6-5-8-14(15)16/h5-6,8-9H,3-4,7,10-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,6,15,14,9,16,13,3,5,8,10,17,12,18,4,11/E:(1,2)(3,4)(10,11)/rA:18nCCCNCCCCCCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s4;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H24ClNO
All Atoms:42
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:10.3653
Area:512.202
Solvation:-2.43974
Coulombic:-15.1644
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):3.97

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