1-(2,6-dichlorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol

C13H14Cl2F3NO2 — CID 106212245

IUPAC1-(2,6-dichlorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol
SMILESOC(CNC1(C(F)(F)F)CC1)COc1c(Cl)cccc1Cl
InChIInChI=1S/C13H14Cl2F3NO2/c14-9-2-1-3-10(15)11(9)21-7-8(20)6-19-12(4-5-12)13(16,17)18/h1-3,8,19-20H,4-7H2
InChIKeyVPLFPPWYNPCJTJ-UHFFFAOYSA-N
MW344.16 g/mol
LogP3.42
Rot. Bonds6

About 1-(2,6-dichlorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol

1-(2,6-dichlorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol (PubChem CID 106212245) has the molecular formula C13H14Cl2F3NO2 and a molecular weight of 344.16 g/mol. Its IUPAC name is 1-(2,6-dichlorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dichlorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol
PubChem CID106212245
Molecular FormulaC13H14Cl2F3NO2
Molecular Weight344.16 g/mol
Exact Mass343.04
IUPAC Name1-(2,6-dichlorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol
SMILESOC(CNC1(C(F)(F)F)CC1)COc1c(Cl)cccc1Cl
InChIInChI=1S/C13H14Cl2F3NO2/c14-9-2-1-3-10(15)11(9)21-7-8(20)6-19-12(4-5-12)13(16,17)18/h1-3,8,19-20H,4-7H2
InChIKeyVPLFPPWYNPCJTJ-UHFFFAOYSA-N
XLogP3.42
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.16
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,6-dichlorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol with MolForge

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Related Compounds

Cloranolol
CID 65814
2-Propanol, 1-(2,5-dichlorophenoxy)-3-((1,1-dimethylethyl)amino)-, hydrochloride (1:1)
CID 162743
1-(2,4-Dichlorophenoxy)-3-[(1,1,3,3-tetramethylbutyl)amino]-2-propanol hydrochloride
CID 2918568
2-Propanol, 1-(o-chlorophenoxy)-3-isopropylamino-
CID 210928
Cloranolol, (S)-
CID 60022665
5-Demethylbupranolol
CID 134326
1-Amino-3-(2,6-dichlorophenoxy)propan-2-ol
CID 2804744
1-{[2-(2,4,6-Trichlorophenoxy)ethyl]amino}propan-2-ol
CID 133052768
Cambridge id 5737961
CID 2262632
1-(Tert-butylamino)-3-(4-chlorophenoxy)-2-propanol hydrochloride
CID 2851839
Cambridge id 5550240
CID 2851838
3-(Tert-butylamino)-1-[2-(p-chlorophenoxy)ethoxy]-2-propanol
CID 4357367

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol?
The IUPAC name of 1-(2,6-dichlorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol (CID 106212245) is 1-(2,6-dichlorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol.
What is the SMILES notation for 1-(2,6-dichlorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol?
The canonical SMILES for 1-(2,6-dichlorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol is OC(CNC1(C(F)(F)F)CC1)COc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol?
The InChIKey is VPLFPPWYNPCJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2F3NO2/c14-9-2-1-3-10(15)11(9)21-7-8(20)6-19-12(4-5-12)13(16,17)18/h1-3,8,19-20H,4-7H2.
What are the key properties of 1-(2,6-dichlorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol?
1-(2,6-dichlorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol has a molecular weight of 344.16 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol is sourced from PubChem (CID 106212245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).