Chemical ID: 7101882

CCCCCNCc1ccc(cc1)F
Chemical ID:
7101882
Name [?]:
N-[(4-fluorophenyl)methyl]pentan-1-amine
SMILES [?]:
CCCCCNCc1ccc(cc1)F
InChi [?]:
InChI=1/C12H18FN/c1-2-3-4-9-14-10-11-5-7-12(13)8-6-11/h5-8,14H,2-4,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,9,13,10,12,5,7,8,11,14,6/E:(5,6)(7,8)/rA:14nCCCCCNCCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18FN
All Atoms:32
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:8.26326
Area:403.847
Solvation:-1.8329
Coulombic:-14.8384
Bond Count [?]
All:14
Single:11
Double:3
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:195.276
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.61
LogP (Chemaxon):3.32

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