Chemical ID: 5183317

COc1ccc(cc1F)CCN
Chemical ID:
5183317
Name [?]:
2-(3-fluoro-4-methoxy-phenyl)ethanamine
SMILES [?]:
COc1ccc(cc1F)CCN
InChi [?]:
InChI=1/C9H12FNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4-5,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,4,10,11,7,6,8,3,9,12,2/rA:12nCOCCCCCCFCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;s10;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12FNO
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:4.9299
Area:334.533
Solvation:-3.43343
Coulombic:-23.993
Bond Count [?]
All:12
Single:9
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:169.196
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.38
LogP (Chemaxon):1.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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