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Chemical ID: 7528546

Chemical ID:

7528546

Name [?]:

1-(4-bromophenyl)amino-3-(4-tert-butylphenoxy)-propan-2-ol

SMILES [?]:

CC(C)(C)c1ccc(cc1)OCC(CNc2ccc(cc2)Br)O

InChi [?]:

InChI=1/C19H24BrNO2/c1-19(2,3)14-4-10-18(11-5-14)23-13-17(22)12-21-16-8-6-15(20)7-9-16/h4-11,17,21-22H,12-13H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,3,4,6,10,18,20,17,21,7,9,14,12,5,19,16,13,8,2,22,15,23,11/E:(1,2,3)(4,5)(6,7)(8,9)(10,11)/rA:23cCCCCCCCCCCOCCCNCCCCCCBrO/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s19;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₄BrNO₂
All Atoms:	47
Heavy Atoms:	23
Chiral Atoms:	None

ZAP Information [?]

Total:	10.073
Area:	570.509
Solvation:	-4.18978
Coulombic:	-38.0442

Bond Count [?]

All:	24
Single:	18
Double:	6
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.34
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value