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Chemical ID: 4293629

Chemical ID:

4293629

Name [?]:

N,N-diethyl-6-(2,4,6-trimethylphenoxy)-hexan-1-amine

SMILES [?]:

CCN(CC)CCCCCCOc1c(cc(cc1C)C)C

InChi [?]:

InChI=1/C19H33NO/c1-6-20(7-2)12-10-8-9-11-13-21-19-17(4)14-16(3)15-18(19)5/h14-15H,6-13H2,1-5H3

InChi Info:

AuxInfo=1/0/N:1,5,20,19,21,2,4,8,9,7,10,6,11,17,15,16,18,14,13,3,12/E:(1,2)(4,5)(6,7)(14,15)(17,18)/rA:21nCCNCCCCCCCCOCCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;s16;s14;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₃₃NO
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	12.1494
Area:	568.645
Solvation:	-2.06674
Coulombic:	-14.8285

Bond Count [?]

All:	21
Single:	18
Double:	3
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	291.471
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	4.96
LogP (Chemaxon):	5.16

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