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Chemical ID: 7109774

Chemical ID:

7109774

Name [?]:

N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)-methanamine

SMILES [?]:

COc1ccc(cc1)CNCc2cccc(c2)OCc3ccccc3F

InChi [?]:

InChI=1/C22H22FNO2/c1-25-20-11-9-17(10-12-20)14-24-15-18-5-4-7-21(13-18)26-16-19-6-2-3-8-22(19)23/h2-13,24H,14-16H2,1H3

InChi Info:

AuxInfo=1/0/N:1,22,23,14,13,21,15,24,5,7,4,8,17,9,11,19,6,12,20,3,16,25,26,10,2,18/E:(9,10)(11,12)/rA:26nCOCCCCCCCNCCCCCCCOCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s19;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₂FNO₂
All Atoms:	48
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2991
Area:	596.624
Solvation:	-4.61646
Coulombic:	-30.7995

Bond Count [?]

All:	28
Single:	19
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	351.414
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.94
LogP (Chemaxon):	4.76

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value