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Chemical ID: 4340553

Chemical ID:

4340553

Name [?]:

1-[bis(2-hydroxyethyl)amino]-3-(4-ethylphenoxy)-propan-2-ol

SMILES [?]:

CCc1ccc(cc1)OCC(CN(CCO)CCO)O

InChi [?]:

InChI=1/C15H25NO4/c1-2-13-3-5-15(6-4-13)20-12-14(19)11-16(7-9-17)8-10-18/h3-6,14,17-19H,2,7-12H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,4,8,5,7,14,17,15,18,12,10,3,11,6,13,16,19,20,9/E:(3,4)(5,6)(7,8)(9,10)(17,18)/rA:20cCCCCCCCCOCCCNCCOCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s14;s15;s13;s17;s18;s11;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₅NO₄
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	1

ZAP Information [?]

Total:	5.35205
Area:	506.409
Solvation:	-7.30818
Coulombic:	-61.5498

Bond Count [?]

All:	20
Single:	17
Double:	3
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	283.363
H-Bond Donors:	3
H-Bond Acceptors:	5
XLogP:	0.6
LogP (Chemaxon):	1.38

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value