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Chemical ID: 7101665
Chemical ID:
7101665
Name [?]:
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]methanamine
SMILES [?]:
CNCc1cc(ccc1OCc2ccccc2F)Cl
InChi [?]:
InChI=1/C15H15ClFNO/c1-18-9-12-8-13(16)6-7-15(12)19-10-11-4-2-3-5-14(11)17/h2-8,18H,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,13,16,7,8,5,3,11,12,4,6,17,9,19,18,2,10/rA:19nCNCCCCCCCOCCCCCCCFCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s6;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15ClFNO |
All Atoms: | 34 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.81046 |
Area: | 468.605 |
Solvation: | -2.90468 |
Coulombic: | -22.6359 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 279.737 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.94 |
LogP (Chemaxon): | 3.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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