[3-phenoxy-1-(propylamino)cyclopentyl]methanol

C15H23NO2 — CID 79645048

IUPAC[3-phenoxy-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(Oc2ccccc2)C1
InChIInChI=1S/C15H23NO2/c1-2-10-16-15(12-17)9-8-14(11-15)18-13-6-4-3-5-7-13/h3-7,14,16-17H,2,8-12H2,1H3
InChIKeyIUCTZWYWZZCZMU-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.35
Rot. Bonds6

About [3-phenoxy-1-(propylamino)cyclopentyl]methanol

[3-phenoxy-1-(propylamino)cyclopentyl]methanol (PubChem CID 79645048) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [3-phenoxy-1-(propylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-phenoxy-1-(propylamino)cyclopentyl]methanol
PubChem CID79645048
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[3-phenoxy-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(Oc2ccccc2)C1
InChIInChI=1S/C15H23NO2/c1-2-10-16-15(12-17)9-8-14(11-15)18-13-6-4-3-5-7-13/h3-7,14,16-17H,2,8-12H2,1H3
InChIKeyIUCTZWYWZZCZMU-UHFFFAOYSA-N
XLogP2.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-phenoxy-1-(propylamino)cyclopentyl]methanol?
The IUPAC name of [3-phenoxy-1-(propylamino)cyclopentyl]methanol (CID 79645048) is [3-phenoxy-1-(propylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-phenoxy-1-(propylamino)cyclopentyl]methanol?
The canonical SMILES for [3-phenoxy-1-(propylamino)cyclopentyl]methanol is CCCNC1(CO)CCC(Oc2ccccc2)C1.
What is the InChIKey of [3-phenoxy-1-(propylamino)cyclopentyl]methanol?
The InChIKey is IUCTZWYWZZCZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-10-16-15(12-17)9-8-14(11-15)18-13-6-4-3-5-7-13/h3-7,14,16-17H,2,8-12H2,1H3.
What are the key properties of [3-phenoxy-1-(propylamino)cyclopentyl]methanol?
[3-phenoxy-1-(propylamino)cyclopentyl]methanol has a molecular weight of 249.35 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-phenoxy-1-(propylamino)cyclopentyl]methanol is sourced from PubChem (CID 79645048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).