[1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentyl]methanol

C15H19F2NO2 — CID 79645266

IUPAC[1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentyl]methanol
SMILESOCC1(NC2CC2)CCC(Oc2cccc(F)c2F)C1
InChIInChI=1S/C15H19F2NO2/c16-12-2-1-3-13(14(12)17)20-11-6-7-15(8-11,9-19)18-10-4-5-10/h1-3,10-11,18-19H,4-9H2
InChIKeyAXJKRIRFVCTDSR-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.38
Rot. Bonds5

About [1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentyl]methanol

[1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentyl]methanol (PubChem CID 79645266) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is [1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentyl]methanol
PubChem CID79645266
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name[1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentyl]methanol
SMILESOCC1(NC2CC2)CCC(Oc2cccc(F)c2F)C1
InChIInChI=1S/C15H19F2NO2/c16-12-2-1-3-13(14(12)17)20-11-6-7-15(8-11,9-19)18-10-4-5-10/h1-3,10-11,18-19H,4-9H2
InChIKeyAXJKRIRFVCTDSR-UHFFFAOYSA-N
XLogP2.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentyl]methanol?
The IUPAC name of [1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentyl]methanol (CID 79645266) is [1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentyl]methanol.
What is the SMILES notation for [1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentyl]methanol?
The canonical SMILES for [1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentyl]methanol is OCC1(NC2CC2)CCC(Oc2cccc(F)c2F)C1.
What is the InChIKey of [1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentyl]methanol?
The InChIKey is AXJKRIRFVCTDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c16-12-2-1-3-13(14(12)17)20-11-6-7-15(8-11,9-19)18-10-4-5-10/h1-3,10-11,18-19H,4-9H2.
What are the key properties of [1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentyl]methanol?
[1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentyl]methanol has a molecular weight of 283.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentyl]methanol is sourced from PubChem (CID 79645266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).