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Chemical ID: 6193922

Chemical ID:

6193922

Name [?]:

1-[bis(2-hydroxyethyl)amino]-3-(2,6-dimethoxyphenoxy)-propan-2-ol

SMILES [?]:

COc1cccc(c1OCC(CN(CCO)CCO)O)OC

InChi [?]:

InChI=1/C15H25NO6/c1-20-13-4-3-5-14(21-2)15(13)22-11-12(19)10-16(6-8-17)7-9-18/h3-5,12,17-19H,6-11H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,22,5,4,6,14,17,15,18,12,10,11,3,7,8,13,16,19,20,2,21,9/E:(1,2)(4,5)(6,7)(8,9)(13,14)(17,18)(20,21)/rA:22cCOCCCCCCOCCCNCCOCCOOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s13;s14;s15;s13;s17;s18;s11;s7;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₅NO₆
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	1.6102
Area:	532.429
Solvation:	-11.7005
Coulombic:	-73.4221

Bond Count [?]

All:	22
Single:	19
Double:	3
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	315.362
H-Bond Donors:	3
H-Bond Acceptors:	7
XLogP:	-0.87
LogP (Chemaxon):	0.01

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