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Chemical ID: 7100752

Chemical ID:

7100752

Name [?]:

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

SMILES [?]:

COc1cccc(c1OCc2ccccc2)CNCc3ccccc3Cl

InChi [?]:

InChI=1/C22H22ClNO2/c1-25-21-13-7-11-19(15-24-14-18-10-5-6-12-20(18)23)22(21)26-16-17-8-3-2-4-9-17/h2-13,24H,14-16H2,1H3

InChi Info:

AuxInfo=1/0/N:1,14,13,15,22,23,5,12,16,21,6,24,4,19,17,10,11,20,7,25,3,8,26,18,2,9/E:(3,4)(8,9)/rA:26nCOCCCCCCOCCCCCCCCNCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s7;s17;s18;s19;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₂ClNO₂
All Atoms:	48
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2769
Area:	592.829
Solvation:	-4.5438
Coulombic:	-28.1214

Bond Count [?]

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

Chemical Properties

Molecular Weight:	367.868
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.14
LogP (Chemaxon):	5.14

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