1-(4-fluorophenoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol

C15H22FNO2 — CID 61364797

IUPAC1-(4-fluorophenoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol
SMILESCC1(NCC(O)COc2ccc(F)cc2)CCCC1
InChIInChI=1S/C15H22FNO2/c1-15(8-2-3-9-15)17-10-13(18)11-19-14-6-4-12(16)5-7-14/h4-7,13,17-18H,2-3,8-11H2,1H3
InChIKeyJEFYOLDFUQNIQT-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.49
Rot. Bonds6

About 1-(4-fluorophenoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol

1-(4-fluorophenoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol (PubChem CID 61364797) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol
PubChem CID61364797
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-(4-fluorophenoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol
SMILESCC1(NCC(O)COc2ccc(F)cc2)CCCC1
InChIInChI=1S/C15H22FNO2/c1-15(8-2-3-9-15)17-10-13(18)11-19-14-6-4-12(16)5-7-14/h4-7,13,17-18H,2-3,8-11H2,1H3
InChIKeyJEFYOLDFUQNIQT-UHFFFAOYSA-N
XLogP2.49
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol?
The IUPAC name of 1-(4-fluorophenoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol (CID 61364797) is 1-(4-fluorophenoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol?
The canonical SMILES for 1-(4-fluorophenoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol is CC1(NCC(O)COc2ccc(F)cc2)CCCC1.
What is the InChIKey of 1-(4-fluorophenoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol?
The InChIKey is JEFYOLDFUQNIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-15(8-2-3-9-15)17-10-13(18)11-19-14-6-4-12(16)5-7-14/h4-7,13,17-18H,2-3,8-11H2,1H3.
What are the key properties of 1-(4-fluorophenoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol?
1-(4-fluorophenoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol has a molecular weight of 267.34 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol is sourced from PubChem (CID 61364797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).