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Chemical ID: 7271729

Chemical ID:

7271729

Name [?]:

1-(3-dimethylaminopropylamino)-3-(2,3,6-trimethylphenoxy)-propan-2-ol

SMILES [?]:

Cc1ccc(c(c1C)OCC(CNCCCN(C)C)O)C

InChi [?]:

InChI=1/C17H30N2O2/c1-13-7-8-14(2)17(15(13)3)21-12-16(20)11-18-9-6-10-19(4)5/h7-8,16,18,20H,6,9-12H2,1-5H3

InChi Info:

AuxInfo=1/0/N:1,21,8,18,19,15,3,4,14,16,12,10,2,5,7,11,6,13,17,20,9/E:(4,5)/rA:21cCCCCCCCCOCCCNCCCNCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;s11;s12;s13;s14;s15;s16;s17;s17;s11;s5;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₃₀N₂O₂
All Atoms:	51
Heavy Atoms:	21
Chiral Atoms:	1

ZAP Information [?]

Total:	8.97876
Area:	546.822
Solvation:	-4.69179
Coulombic:	-37.7741

Bond Count [?]

All:	21
Single:	18
Double:	3
Rotors:	9
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	294.432
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	1.98
LogP (Chemaxon):	2.47

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