Chemical ID: 7085808

c1ccc(cc1)Oc2ccc(cc2)NCc3ccccc3F
Chemical ID:
7085808
Name [?]:
N-[(2-fluorophenyl)methyl]-4-phenoxy-aniline
SMILES [?]:
c1ccc(cc1)Oc2ccc(cc2)NCc3ccccc3F
InChi [?]:
InChI=1/C19H16FNO/c20-19-9-5-4-6-15(19)14-21-16-10-12-18(13-11-16)22-17-7-2-1-3-8-17/h1-13,21H,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,18,19,17,3,5,20,10,12,9,13,15,16,11,4,8,21,22,14,7/E:(2,3)(7,8)(10,11)(12,13)/rA:22nCCCCCCOCCCCCCNCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16FNO
All Atoms:38
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.34154
Area:496.24
Solvation:-3.06447
Coulombic:-26.2906
Bond Count [?]
All:24
Single:15
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:293.335
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.02
LogP (Chemaxon):4.97

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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