Chemical ID: 7107684

CCCCNCc1cccc(c1)OCc2ccccc2F
Chemical ID:
7107684
Name [?]:
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine
SMILES [?]:
CCCCNCc1cccc(c1)OCc2ccccc2F
InChi [?]:
InChI=1/C18H22FNO/c1-2-3-11-20-13-15-7-6-9-17(12-15)21-14-16-8-4-5-10-18(16)19/h4-10,12,20H,2-3,11,13-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,17,18,9,8,16,10,19,4,12,6,14,7,15,11,20,21,5,13/rA:21nCCCCNCCCCCCCOCCCCCCCF/rB:s1;s2;s3;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:10.3906
Area:525.865
Solvation:-2.75603
Coulombic:-23.7594
Bond Count [?]
All:22
Single:16
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:287.372
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.67
LogP (Chemaxon):4.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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