2-[[2-(4-fluorophenyl)cyclopentyl]amino]propane-1,3-diol

C14H20FNO2 — CID 75482381

IUPAC2-[[2-(4-fluorophenyl)cyclopentyl]amino]propane-1,3-diol
SMILESOCC(CO)NC1CCCC1c1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c15-11-6-4-10(5-7-11)13-2-1-3-14(13)16-12(8-17)9-18/h4-7,12-14,16-18H,1-3,8-9H2
InChIKeySJVUCBLBNPLLEC-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.40
Rot. Bonds5

About 2-[[2-(4-fluorophenyl)cyclopentyl]amino]propane-1,3-diol

2-[[2-(4-fluorophenyl)cyclopentyl]amino]propane-1,3-diol (PubChem CID 75482381) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)cyclopentyl]amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)cyclopentyl]amino]propane-1,3-diol
PubChem CID75482381
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-[[2-(4-fluorophenyl)cyclopentyl]amino]propane-1,3-diol
SMILESOCC(CO)NC1CCCC1c1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c15-11-6-4-10(5-7-11)13-2-1-3-14(13)16-12(8-17)9-18/h4-7,12-14,16-18H,1-3,8-9H2
InChIKeySJVUCBLBNPLLEC-UHFFFAOYSA-N
XLogP1.40
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)cyclopentyl]amino]propane-1,3-diol?
The IUPAC name of 2-[[2-(4-fluorophenyl)cyclopentyl]amino]propane-1,3-diol (CID 75482381) is 2-[[2-(4-fluorophenyl)cyclopentyl]amino]propane-1,3-diol.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)cyclopentyl]amino]propane-1,3-diol?
The canonical SMILES for 2-[[2-(4-fluorophenyl)cyclopentyl]amino]propane-1,3-diol is OCC(CO)NC1CCCC1c1ccc(F)cc1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)cyclopentyl]amino]propane-1,3-diol?
The InChIKey is SJVUCBLBNPLLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c15-11-6-4-10(5-7-11)13-2-1-3-14(13)16-12(8-17)9-18/h4-7,12-14,16-18H,1-3,8-9H2.
What are the key properties of 2-[[2-(4-fluorophenyl)cyclopentyl]amino]propane-1,3-diol?
2-[[2-(4-fluorophenyl)cyclopentyl]amino]propane-1,3-diol has a molecular weight of 253.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)cyclopentyl]amino]propane-1,3-diol is sourced from PubChem (CID 75482381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).