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Chemical ID: 7104918
Chemical ID:
7104918
Name [?]:
N-[(2-fluorophenyl)methyl]hexan-1-amine
SMILES [?]:
CCCCCCNCc1ccccc1F
InChi [?]:
InChI=1/C13H20FN/c1-2-3-4-7-10-15-11-12-8-5-6-9-13(12)14/h5-6,8-9,15H,2-4,7,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,11,12,5,10,13,6,8,9,14,15,7/rA:15nCCCCCCNCCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H20FN |
All Atoms: | 35 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.70434 |
Area: | 427.543 |
Solvation: | -1.98424 |
Coulombic: | -15.2222 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 209.303 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.18 |
LogP (Chemaxon): | 3.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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