Chemical ID: 7101811

CCCNCc1ccccc1OCc2ccccc2F
Chemical ID:
7101811
Name [?]:
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
SMILES [?]:
CCCNCc1ccccc1OCc2ccccc2F
InChi [?]:
InChI=1/C17H20FNO/c1-2-11-19-12-14-7-4-6-10-17(14)20-13-15-8-3-5-9-16(15)18/h3-10,19H,2,11-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,8,17,9,7,15,18,10,3,5,13,6,14,19,11,20,4,12/rA:20nCCCNCCCCCCCOCCCCCCCF/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20FNO
All Atoms:40
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.29679
Area:488.693
Solvation:-2.92054
Coulombic:-23.3076
Bond Count [?]
All:21
Single:15
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:273.345
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.1
LogP (Chemaxon):4.05

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