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

C14H20F3NO2 — CID 115475984

IUPAC1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCC(C)(C)NCC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO2/c1-13(2,3)18-8-11(19)9-20-12-6-4-10(5-7-12)14(15,16)17/h4-7,11,18-19H,8-9H2,1-3H3
InChIKeyMMFZMNASBKSMBG-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.83
Rot. Bonds5

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

1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 115475984) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID115475984
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCC(C)(C)NCC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO2/c1-13(2,3)18-8-11(19)9-20-12-6-4-10(5-7-12)14(15,16)17/h4-7,11,18-19H,8-9H2,1-3H3
InChIKeyMMFZMNASBKSMBG-UHFFFAOYSA-N
XLogP2.83
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(tert-butylamino)-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol
CID 70134512
(2S)-1-(tert-butylamino)-3-(4-iodophenoxy)propan-2-ol
CID 101075385
(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
(2S)-1-(tert-butylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
CID 12878477
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-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (CID 115475984) is 1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is CC(C)(C)NCC(O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is MMFZMNASBKSMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-13(2,3)18-8-11(19)9-20-12-6-4-10(5-7-12)14(15,16)17/h4-7,11,18-19H,8-9H2,1-3H3.
What are the key properties of 1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 291.31 g/mol, XLogP of 2.83, 5 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-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 115475984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).