1-(2-chloro-6-fluorophenoxy)-3-(cyclopropylamino)propan-2-ol

C12H15ClFNO2 — CID 83050665

IUPAC1-(2-chloro-6-fluorophenoxy)-3-(cyclopropylamino)propan-2-ol
SMILESOC(CNC1CC1)COc1c(F)cccc1Cl
InChIInChI=1S/C12H15ClFNO2/c13-10-2-1-3-11(14)12(10)17-7-9(16)6-15-8-4-5-8/h1-3,8-9,15-16H,4-7H2
InChIKeyUKQYAEOAPSFNOU-UHFFFAOYSA-N
MW259.71 g/mol
LogP1.97
Rot. Bonds6

About 1-(2-chloro-6-fluorophenoxy)-3-(cyclopropylamino)propan-2-ol

1-(2-chloro-6-fluorophenoxy)-3-(cyclopropylamino)propan-2-ol (PubChem CID 83050665) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenoxy)-3-(cyclopropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenoxy)-3-(cyclopropylamino)propan-2-ol
PubChem CID83050665
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name1-(2-chloro-6-fluorophenoxy)-3-(cyclopropylamino)propan-2-ol
SMILESOC(CNC1CC1)COc1c(F)cccc1Cl
InChIInChI=1S/C12H15ClFNO2/c13-10-2-1-3-11(14)12(10)17-7-9(16)6-15-8-4-5-8/h1-3,8-9,15-16H,4-7H2
InChIKeyUKQYAEOAPSFNOU-UHFFFAOYSA-N
XLogP1.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-6-nitrophenoxy)-3-(cyclopropylamino)propan-2-ol
CID 107716500
2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol
CID 62360958
3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propane-1,2-diol
CID 112609791
1-(cyclopropylamino)-3-(2,6-dimethylphenoxy)propan-2-ol
CID 43090638
1-(cyclopropylamino)-3-(2,3,5,6-tetrafluorophenoxy)propan-2-ol
CID 103289374
3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]propane-1,2-diol
CID 112609889
N-[3-(2,6-difluorophenoxy)-2-methylpropyl]cyclopropanamine
CID 81269605
1-(2,6-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol
CID 79856856
1-(2,3-dichlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 111466535
1-(2,6-dichlorophenoxy)-3-(2,3,4,5-tetrahydro-1-benzoxepin-3-ylamino)propan-2-ol
CID 146075592
1-(cyclopropylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 3604770
1-[(2-chlorophenyl)methoxy]-3-(cyclopropylamino)propan-2-ol
CID 43090643

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenoxy)-3-(cyclopropylamino)propan-2-ol?
The IUPAC name of 1-(2-chloro-6-fluorophenoxy)-3-(cyclopropylamino)propan-2-ol (CID 83050665) is 1-(2-chloro-6-fluorophenoxy)-3-(cyclopropylamino)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-6-fluorophenoxy)-3-(cyclopropylamino)propan-2-ol?
The canonical SMILES for 1-(2-chloro-6-fluorophenoxy)-3-(cyclopropylamino)propan-2-ol is OC(CNC1CC1)COc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenoxy)-3-(cyclopropylamino)propan-2-ol?
The InChIKey is UKQYAEOAPSFNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c13-10-2-1-3-11(14)12(10)17-7-9(16)6-15-8-4-5-8/h1-3,8-9,15-16H,4-7H2.
What are the key properties of 1-(2-chloro-6-fluorophenoxy)-3-(cyclopropylamino)propan-2-ol?
1-(2-chloro-6-fluorophenoxy)-3-(cyclopropylamino)propan-2-ol has a molecular weight of 259.71 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenoxy)-3-(cyclopropylamino)propan-2-ol is sourced from PubChem (CID 83050665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).