1-(cyclopropylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol

C13H18FNO2 — CID 3604770

IUPAC1-(cyclopropylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol
SMILESOC(CNC1CC1)COCc1ccccc1F
InChIInChI=1S/C13H18FNO2/c14-13-4-2-1-3-10(13)8-17-9-12(16)7-15-11-5-6-11/h1-4,11-12,15-16H,5-9H2
InChIKeyYXEQYQLETSZHQF-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.46
Rot. Bonds7

About 1-(cyclopropylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol

1-(cyclopropylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol (PubChem CID 3604770) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol
PubChem CID3604770
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name1-(cyclopropylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol
SMILESOC(CNC1CC1)COCc1ccccc1F
InChIInChI=1S/C13H18FNO2/c14-13-4-2-1-3-10(13)8-17-9-12(16)7-15-11-5-6-11/h1-4,11-12,15-16H,5-9H2
InChIKeyYXEQYQLETSZHQF-UHFFFAOYSA-N
XLogP1.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methoxy]-3-(cyclopropylamino)propan-2-ol
CID 43090643
1-[(2-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol;oxalic acid
CID 126456729
1-[(2-fluorophenyl)methoxy]-3-(propylamino)propan-2-ol
CID 60634200
1-[(2-fluorophenyl)methoxy]-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632244
1-cyclohexyl-2-[(2-fluorophenyl)methoxy]ethanol
CID 104753717
1-[(2-fluorophenyl)methoxy]-3-(3-methylpentan-3-ylamino)propan-2-ol
CID 103829136
(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 25346087
1-[(2-fluorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469296
1-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-2-methylpropan-2-ol
CID 65107673
1-[(2-fluorophenyl)methoxy]-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62642322
N-[4-[(2-fluorophenyl)methoxy]butyl]cyclopropanamine
CID 63935145
methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate
CID 60649043

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol (CID 3604770) is 1-(cyclopropylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol is OC(CNC1CC1)COCc1ccccc1F.
What is the InChIKey of 1-(cyclopropylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol?
The InChIKey is YXEQYQLETSZHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c14-13-4-2-1-3-10(13)8-17-9-12(16)7-15-11-5-6-11/h1-4,11-12,15-16H,5-9H2.
What are the key properties of 1-(cyclopropylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol?
1-(cyclopropylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol has a molecular weight of 239.29 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol is sourced from PubChem (CID 3604770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).