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Chemical ID: 7975115

Chemical ID:

7975115

Name [?]:

[4-methoxy-3-[2-(3-methylphenoxy)ethoxy]phenyl]methanamine

SMILES [?]:

Cc1cccc(c1)OCCOc2cc(ccc2OC)CN

InChi [?]:

InChI=1/C17H21NO3/c1-13-4-3-5-15(10-13)20-8-9-21-17-11-14(12-18)6-7-16(17)19-2/h3-7,10-11H,8-9,12,18H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,19,4,3,5,15,16,9,10,7,13,20,2,14,6,17,12,21,18,8,11/rA:21nCCCCCCCOCCOCCCCCCOCCN/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;s14;s20;/rC:-.0184,1.5028,.0103;.0021,-.0041,.002;.0057,-.6883,-1.1997;.0244,-2.0706,-1.2107;.0391,-2.7719,-.0203;.0355,-2.0879,1.1864;.0229,-.7004,1.1947;.05,-2.7755,2.3585;.0669,-4.1643,2.0225;.0838,-4.999,3.3047;-1.1368,-4.798,4.0201;-1.0641,-5.5608,5.1436;.0647,-6.3251,5.3921;.1372,-7.0996,6.5349;-.915,-7.1142,7.4316;-2.0442,-6.3544,7.1895;-2.1207,-5.5711,6.049;-3.2306,-4.8226,5.8096;-4.1269,-5.053,6.8984;1.3656,-7.9303,6.8035;2.3333,-7.1383,7.5744;

Chemical Details

Atom Count

Formula:	C₁₇H₂₁NO₃
All Atoms:	42
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	6.29171
Area:	515.517
Solvation:	-6.59623
Coulombic:	-34.2587

Bond Count [?]

All:	43
Single:	37
Double:	6
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	287.354
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	2.74
LogP (Chemaxon):	2.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value