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Chemical ID: 7101882
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
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Experimental Annotations
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Descriptor Annotations
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