Chemical ID: 4503423

CCOc1ccc(cc1)CNCc2ccc(cc2)F
Chemical ID:
4503423
Name [?]:
1-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]methanamine
SMILES [?]:
CCOc1ccc(cc1)CNCc2ccc(cc2)F
InChi [?]:
InChI=1/C16H18FNO/c1-2-19-16-9-5-14(6-10-16)12-18-11-13-3-7-15(17)8-4-13/h3-10,18H,2,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,18,6,8,15,17,5,9,12,10,13,7,16,4,19,11,3/E:(3,4)(5,6)(7,8)(9,10)/rA:19nCCOCCCCCCCNCCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18FNO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.2648
Area:474.4
Solvation:-3.5952
Coulombic:-21.8243
Bond Count [?]
All:20
Single:14
Double:6
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:259.319
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.74
LogP (Chemaxon):3.58

Name Annotations

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Descriptor Annotations

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