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Chemical ID: 7341157

Chemical ID:

7341157

Name [?]:

1-(butyl-sec-butyl-amino)-3-(2,6-dimethylphenoxy)-propan-2-ol

SMILES [?]:

CCCCN(CC(COc1c(cccc1C)C)O)C(C)CC

InChi [?]:

InChI=1/C19H33NO2/c1-6-8-12-20(17(5)7-2)13-18(21)14-22-19-15(3)10-9-11-16(19)4/h9-11,17-18,21H,6-8,12-14H2,1-5H3

InChi Info:

AuxInfo=1/0/N:1,22,16,17,20,2,21,3,13,14,12,4,6,8,15,11,19,7,10,5,18,9/E:(3,4)(10,11)(15,16)/rA:22cCCCCNCCCOCCCCCCCCOCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s11;s7;s5;s19;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₃₃NO₂
All Atoms:	55
Heavy Atoms:	22
Chiral Atoms:	3

ZAP Information [?]

Total:	9.98192
Area:	543.248
Solvation:	-3.59927
Coulombic:	-31.2557

Bond Count [?]

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

Chemical Properties

Molecular Weight:	307.471
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.16
LogP (Chemaxon):	4.77

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