1-(propylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol

C13H18F3NO2 — CID 43166208

IUPAC1-(propylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCCCNCC(O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO2/c1-2-6-17-8-11(18)9-19-12-5-3-4-10(7-12)13(14,15)16/h3-5,7,11,17-18H,2,6,8-9H2,1H3
InChIKeyGVRXUBZFISOYRD-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.44
Rot. Bonds7

About 1-(propylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol

1-(propylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 43166208) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-(propylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(propylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID43166208
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name1-(propylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCCCNCC(O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO2/c1-2-6-17-8-11(18)9-19-12-5-3-4-10(7-12)13(14,15)16/h3-5,7,11,17-18H,2,6,8-9H2,1H3
InChIKeyGVRXUBZFISOYRD-UHFFFAOYSA-N
XLogP2.44
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride
CID 119304963
1-[3-(methoxymethyl)phenoxy]-3-(propylamino)propan-2-ol
CID 63986764
2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpentanamide;hydrochloride
CID 119751688
4-methyl-1-[3-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241710
3-ethoxy-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 47932930
1-[3-[3-(trifluoromethyl)phenoxy]propylamino]propan-2-ol
CID 2977000
1-(pyridin-2-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 133274208
1-(3-nitrophenoxy)-3-(propylamino)propan-2-ol
CID 43090702
1-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]cyclopropane-1-carboxamide
CID 119751647
N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 52503690
2-benzyl-1-ethyl-3-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]guanidine;hydroiodide
CID 110952493
1-methylsulfonyl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 110906345

Frequently Asked Questions

What is the IUPAC name of 1-(propylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-(propylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol (CID 43166208) is 1-(propylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(propylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(propylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol is CCCNCC(O)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(propylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is GVRXUBZFISOYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-2-6-17-8-11(18)9-19-12-5-3-4-10(7-12)13(14,15)16/h3-5,7,11,17-18H,2,6,8-9H2,1H3.
What are the key properties of 1-(propylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol?
1-(propylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 277.29 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 43166208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).