Chemical ID: 7102312

CCC(C)NCc1ccc(c(c1)OC)OCc2ccccc2F
Chemical ID:
7102312
Name [?]:
N-[[4-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]methyl]butan-2-amine
SMILES [?]:
CCC(C)NCc1ccc(c(c1)OC)OCc2ccccc2F
InChi [?]:
InChI=1/C19H24FNO2/c1-4-14(2)21-12-15-9-10-18(19(11-15)22-3)23-13-16-7-5-6-8-17(16)20/h5-11,14,21H,4,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,4,14,2,19,20,18,21,8,9,12,6,16,3,7,17,22,10,11,23,5,13,15/rA:23cCCCCNCCCCCCCOCOCCCCCCCF/rB:s1;s2;s3;s3;s5;s6;s7;d8;s9;d10;d7s11;s11;s13;s10;s15;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24FNO2
All Atoms:47
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:9.12819
Area:551.277
Solvation:-4.65375
Coulombic:-29.9293
Bond Count [?]
All:24
Single:18
Double:6
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:317.398
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.21
LogP (Chemaxon):4.21

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