1-(tert-butylamino)-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol

C20H24F3NO2 — CID 70134512

IUPAC1-(tert-butylamino)-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol
SMILESCC(C)(C)NCC(O)COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H24F3NO2/c1-19(2,3)24-12-17(25)13-26-18-10-6-15(7-11-18)14-4-8-16(9-5-14)20(21,22)23/h4-11,17,24-25H,12-13H2,1-3H3
InChIKeyLTEQJIFAYPPGTJ-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.50
Rot. Bonds6

About 1-(tert-butylamino)-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol

1-(tert-butylamino)-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol (PubChem CID 70134512) has the molecular formula C20H24F3NO2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol
PubChem CID70134512
Molecular FormulaC20H24F3NO2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name1-(tert-butylamino)-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol
SMILESCC(C)(C)NCC(O)COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H24F3NO2/c1-19(2,3)24-12-17(25)13-26-18-10-6-15(7-11-18)14-4-8-16(9-5-14)20(21,22)23/h4-11,17,24-25H,12-13H2,1-3H3
InChIKeyLTEQJIFAYPPGTJ-UHFFFAOYSA-N
XLogP4.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 115475984
(2S)-1-(tert-butylamino)-3-(4-iodophenoxy)propan-2-ol
CID 101075385
(2S)-1-(tert-butylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
CID 12878477
(2R)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787572
(2S)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787574
4,4-dimethyl-1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241739
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
CID 60583798
4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]benzonitrile
CID 93381232
1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241736
4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-N-ethylbenzamide
CID 129404987
1-(tert-butylamino)-3-(3-chloro-4-fluorophenoxy)propan-2-ol
CID 115476132
2-methyl-N-[[4-(trifluoromethyl)phenoxy]methyl]propan-2-amine
CID 167341767

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol (CID 70134512) is 1-(tert-butylamino)-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol is CC(C)(C)NCC(O)COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-(tert-butylamino)-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol?
The InChIKey is LTEQJIFAYPPGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3NO2/c1-19(2,3)24-12-17(25)13-26-18-10-6-15(7-11-18)14-4-8-16(9-5-14)20(21,22)23/h4-11,17,24-25H,12-13H2,1-3H3.
What are the key properties of 1-(tert-butylamino)-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol?
1-(tert-butylamino)-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol has a molecular weight of 367.41 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol is sourced from PubChem (CID 70134512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).