Chemical ID: 7108149

CC(C)(C)NCc1ccccc1OCc2ccccc2F
Chemical ID:
7108149
Name [?]:
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methyl-propan-2-amine
SMILES [?]:
CC(C)(C)NCc1ccccc1OCc2ccccc2F
InChi [?]:
InChI=1/C18H22FNO/c1-18(2,3)20-12-14-8-5-7-11-17(14)21-13-15-9-4-6-10-16(15)19/h4-11,20H,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,17,9,18,10,8,16,19,11,6,14,7,15,20,12,2,21,5,13/E:(1,2,3)/rA:21nCCCCNCCCCCCCOCCCCCCCF/rB:s1;s2;s2;s2;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:9.25129
Area:484.862
Solvation:-2.87027
Coulombic:-23.0682
Bond Count [?]
All:22
Single:16
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:287.372
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.62
LogP (Chemaxon):4.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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