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Chemical ID: 7103460

Chemical ID:

7103460

Name [?]:

1-(4-benzyloxyphenyl)-N-(4-pyridylmethyl)methanamine

SMILES [?]:

c1ccc(cc1)COc2ccc(cc2)CNCc3ccncc3

InChi [?]:

InChI=1/C20H20N2O/c1-2-4-19(5-3-1)16-23-20-8-6-17(7-9-20)14-22-15-18-10-12-21-13-11-18/h1-13,22H,14-16H2

InChi Info:

AuxInfo=1/0/N:1,2,6,3,5,11,13,10,14,19,23,20,22,15,17,7,12,18,4,9,21,16,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:23nCCCCCCCOCCCCCCCNCCCCNCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₀N₂O
All Atoms:	43
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	9.94826
Area:	552.138
Solvation:	-3.85519
Coulombic:	-23.2155

Bond Count [?]

All:	25
Single:	16
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	304.386
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.62
LogP (Chemaxon):	3.56

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