Chemical ID: 7102211

CC(C)CNCc1ccccc1OCc2ccccc2F
Chemical ID:
7102211
Name [?]:
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methyl-propan-1-amine
SMILES [?]:
CC(C)CNCc1ccccc1OCc2ccccc2F
InChi [?]:
InChI=1/C18H22FNO/c1-14(2)11-20-12-15-7-4-6-10-18(15)21-13-16-8-3-5-9-17(16)19/h3-10,14,20H,11-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,17,9,18,10,8,16,19,11,4,6,14,2,7,15,20,12,21,5,13/E:(1,2)/rA:21nCCCCNCCCCCCCOCCCCCCCF/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22FNO
All Atoms:43
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.58302
Area:498.448
Solvation:-2.87817
Coulombic:-23.578
Bond Count [?]
All:22
Single:16
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:287.372
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.4
LogP (Chemaxon):4.45

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Descriptor Annotations

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