Chemical ID: 7105132

c1ccc(c(c1)CCNCc2cccc(c2)Cl)F
Chemical ID:
7105132
Name [?]:
N-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-ethanamine
SMILES [?]:
c1ccc(c(c1)CCNCc2cccc(c2)Cl)F
InChi [?]:
InChI=1/C15H15ClFN/c16-14-6-3-4-12(10-14)11-18-9-8-13-5-1-2-7-15(13)17/h1-7,10,18H,8-9,11H2
InChi Info:
AuxInfo=1/0/N:1,2,13,12,6,14,3,7,8,16,10,11,5,15,4,17,18,9/rA:18nCCCCCCCCNCCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15ClFN
All Atoms:33
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.58884
Area:470.348
Solvation:-2.16985
Coulombic:-16.021
Bond Count [?]
All:19
Single:13
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:263.737
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.18
LogP (Chemaxon):4.26

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