Chemical ID: 5069945

CC(c1cc(ccc1OC)F)N
Chemical ID:
5069945
Name [?]:
1-(5-fluoro-2-methoxy-phenyl)ethanamine
SMILES [?]:
CC(c1cc(ccc1OC)F)N
InChi [?]:
InChI=1/C9H12FNO/c1-6(11)8-5-7(10)3-4-9(8)12-2/h3-6H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,6,7,4,2,5,3,8,11,12,9/rA:12cCCCCCCCCOCFN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s5;s2;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12FNO
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:5.20032
Area:321.173
Solvation:-2.82899
Coulombic:-23.478
Bond Count [?]
All:12
Single:9
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:169.196
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.75
LogP (Chemaxon):1.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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