Chemical ID: 7102241

CC(C)CNCc1cccc(c1)OCc2ccccc2F
Chemical ID:
7102241
Name [?]:
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methyl-propan-1-amine
SMILES [?]:
CC(C)CNCc1cccc(c1)OCc2ccccc2F
InChi [?]:
InChI=1/C18H22FNO/c1-14(2)11-20-12-15-6-5-8-17(10-15)21-13-16-7-3-4-9-18(16)19/h3-10,14,20H,11-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,17,18,9,8,16,10,19,12,4,6,14,2,7,15,11,20,21,5,13/E:(1,2)/rA:21nCCCCNCCCCCCCOCCCCCCCF/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;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:10.1954
Area:517.257
Solvation:-2.73604
Coulombic:-23.7287
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

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue