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Chemical ID: 7103673

Chemical ID:

7103673

Name [?]:

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

SMILES [?]:

c1ccc(c(c1)CNCc2ccc(cc2)F)OCc3ccc(cc3)F

InChi [?]:

InChI=1/C21H19F2NO/c22-19-9-5-16(6-10-19)13-24-14-18-3-1-2-4-21(18)25-15-17-7-11-20(23)12-8-17/h1-12,24H,13-15H2

InChi Info:

AuxInfo=1/0/N:1,2,6,3,11,15,20,24,12,14,21,23,9,7,18,10,19,5,13,22,4,16,25,8,17/E:(5,6)(7,8)(9,10)(11,12)/rA:25nCCCCCCCNCCCCCCCFOCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s4;s17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₉F₂NO
All Atoms:	44
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	9.50535
Area:	558.715
Solvation:	-4.46253
Coulombic:	-27.223

Bond Count [?]

All:	27
Single:	18
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	339.379
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.19
LogP (Chemaxon):	5.15

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