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Chemical ID: 7100754

Chemical ID:

7100754

Name [?]:

1-[2-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]-N-[(2-chlorophenyl)methyl]methanamine

SMILES [?]:

COc1cccc(c1OCc2ccccc2Cl)CNCc3ccccc3Cl

InChi [?]:

InChI=1/C22H21Cl2NO2/c1-26-21-12-6-9-17(14-25-13-16-7-2-4-10-19(16)23)22(21)27-15-18-8-3-5-11-20(18)24/h2-12,25H,13-15H2,1H3

InChi Info:

AuxInfo=1/0/N:1,23,13,24,14,5,22,12,6,25,15,4,20,18,10,21,7,11,26,16,3,8,27,17,19,2,9/rA:27nCOCCCCCCOCCCCCCCClCNCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s7;s18;s19;s20;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₁Cl₂NO₂
All Atoms:	48
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	11.6174
Area:	623.868
Solvation:	-3.97934
Coulombic:	-28.8555

Bond Count [?]

All:	29
Single:	20
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	402.313
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.76
LogP (Chemaxon):	5.66

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