Chemical ID: 7102313

CCC(C)NCc1ccccc1OCc2ccc(cc2)F
Chemical ID:
7102313
Name [?]:
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-2-amine
SMILES [?]:
CCC(C)NCc1ccccc1OCc2ccc(cc2)F
InChi [?]:
InChI=1/C18H22FNO/c1-3-14(2)20-12-16-6-4-5-7-18(16)21-13-15-8-10-17(19)11-9-15/h4-11,14,20H,3,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,4,2,9,10,8,11,16,20,17,19,6,14,3,15,7,18,12,21,5,13/E:(8,9)(10,11)/rA:21cCCCCNCCCCCCCOCCCCCCCF/rB:s1;s2;s3;s3;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22FNO
All Atoms:43
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:9.03013
Area:504.866
Solvation:-3.59152
Coulombic:-22.4587
Bond Count [?]
All:22
Single:16
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:287.372
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.56
LogP (Chemaxon):4.46

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