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

C13H18F3NO2 — CID 2977000

IUPAC1-[3-[3-(trifluoromethyl)phenoxy]propylamino]propan-2-ol
SMILESCC(O)CNCCCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO2/c1-10(18)9-17-6-3-7-19-12-5-2-4-11(8-12)13(14,15)16/h2,4-5,8,10,17-18H,3,6-7,9H2,1H3
InChIKeyDVUCTEYNXCVVHW-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.44
Rot. Bonds7

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

1-[3-[3-(trifluoromethyl)phenoxy]propylamino]propan-2-ol (PubChem CID 2977000) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-[3-[3-(trifluoromethyl)phenoxy]propylamino]propan-2-ol.

Molecular Properties

Compound Name1-[3-[3-(trifluoromethyl)phenoxy]propylamino]propan-2-ol
PubChem CID2977000
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name1-[3-[3-(trifluoromethyl)phenoxy]propylamino]propan-2-ol
SMILESCC(O)CNCCCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO2/c1-10(18)9-17-6-3-7-19-12-5-2-4-11(8-12)13(14,15)16/h2,4-5,8,10,17-18H,3,6-7,9H2,1H3
InChIKeyDVUCTEYNXCVVHW-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

N',N'-dimethyl-N-[3-[3-(trifluoromethyl)phenoxy]propyl]ethane-1,2-diamine
CID 2966014
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
(2R)-2-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 119296655
1-(propylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 43166208
(2S)-2-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 119296638
3-[3-(trifluoromethyl)phenoxy]propan-1-ol
CID 67274409
1-(3-propan-2-ylsulfanylpropoxy)-3-(trifluoromethyl)benzene
CID 71429774
N-benzyl-4-[3-(trifluoromethyl)phenoxy]butan-1-amine
CID 18176646
1-[(Z)-5-methyl-4-propan-2-ylhept-5-enoxy]-3-(trifluoromethyl)benzene
CID 145018578
N-[2-[3-(trifluoromethyl)phenoxy]ethyl]aniline
CID 62597659
2-amino-3-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]pentanamide
CID 119736730
2-(3-ethoxypropylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60901091

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(trifluoromethyl)phenoxy]propylamino]propan-2-ol?
The IUPAC name of 1-[3-[3-(trifluoromethyl)phenoxy]propylamino]propan-2-ol (CID 2977000) is 1-[3-[3-(trifluoromethyl)phenoxy]propylamino]propan-2-ol.
What is the SMILES notation for 1-[3-[3-(trifluoromethyl)phenoxy]propylamino]propan-2-ol?
The canonical SMILES for 1-[3-[3-(trifluoromethyl)phenoxy]propylamino]propan-2-ol is CC(O)CNCCCOc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-[3-(trifluoromethyl)phenoxy]propylamino]propan-2-ol?
The InChIKey is DVUCTEYNXCVVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-10(18)9-17-6-3-7-19-12-5-2-4-11(8-12)13(14,15)16/h2,4-5,8,10,17-18H,3,6-7,9H2,1H3.
What are the key properties of 1-[3-[3-(trifluoromethyl)phenoxy]propylamino]propan-2-ol?
1-[3-[3-(trifluoromethyl)phenoxy]propylamino]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-[3-[3-(trifluoromethyl)phenoxy]propylamino]propan-2-ol is sourced from PubChem (CID 2977000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).