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Chemical ID: 7371239

Chemical ID:

7371239

Name [?]:

1-(2-diisopropylaminoethylamino)-3-(3-methylphenoxy)-propan-2-ol

SMILES [?]:

Cc1cccc(c1)OCC(CNCCN(C(C)C)C(C)C)O

InChi [?]:

InChI=1/C18H32N2O2/c1-14(2)20(15(3)4)10-9-19-12-17(21)13-22-18-8-6-7-16(5)11-18/h6-8,11,14-15,17,19,21H,9-10,12-13H2,1-5H3

InChi Info:

AuxInfo=1/0/N:17,18,20,21,1,4,3,5,13,14,7,11,9,16,19,2,10,6,12,15,22,8/E:(1,2,3,4)(14,15)/rA:22cCCCCCCCOCCCNCCNCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s16;s15;s19;s19;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₃₂N₂O₂
All Atoms:	54
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	9.30518
Area:	558.867
Solvation:	-4.66649
Coulombic:	-38.4225

Bond Count [?]

All:	22
Single:	19
Double:	3
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	308.459
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	2.93
LogP (Chemaxon):	3.0

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