4-[[2-(2-ethoxyphenyl)cyclopentyl]amino]butan-1-ol

C17H27NO2 — CID 166350069

IUPAC4-[[2-(2-ethoxyphenyl)cyclopentyl]amino]butan-1-ol
SMILESCCOc1ccccc1C1CCCC1NCCCCO
InChIInChI=1S/C17H27NO2/c1-2-20-17-11-4-3-8-15(17)14-9-7-10-16(14)18-12-5-6-13-19/h3-4,8,11,14,16,18-19H,2,5-7,9-10,12-13H2,1H3
InChIKeyXFUKTRDILGLHHH-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.08
Rot. Bonds8

About 4-[[2-(2-ethoxyphenyl)cyclopentyl]amino]butan-1-ol

4-[[2-(2-ethoxyphenyl)cyclopentyl]amino]butan-1-ol (PubChem CID 166350069) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-[[2-(2-ethoxyphenyl)cyclopentyl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[[2-(2-ethoxyphenyl)cyclopentyl]amino]butan-1-ol
PubChem CID166350069
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-[[2-(2-ethoxyphenyl)cyclopentyl]amino]butan-1-ol
SMILESCCOc1ccccc1C1CCCC1NCCCCO
InChIInChI=1S/C17H27NO2/c1-2-20-17-11-4-3-8-15(17)14-9-7-10-16(14)18-12-5-6-13-19/h3-4,8,11,14,16,18-19H,2,5-7,9-10,12-13H2,1H3
InChIKeyXFUKTRDILGLHHH-UHFFFAOYSA-N
XLogP3.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-ethoxyphenyl)cyclopentyl]amino]butan-1-ol?
The IUPAC name of 4-[[2-(2-ethoxyphenyl)cyclopentyl]amino]butan-1-ol (CID 166350069) is 4-[[2-(2-ethoxyphenyl)cyclopentyl]amino]butan-1-ol.
What is the SMILES notation for 4-[[2-(2-ethoxyphenyl)cyclopentyl]amino]butan-1-ol?
The canonical SMILES for 4-[[2-(2-ethoxyphenyl)cyclopentyl]amino]butan-1-ol is CCOc1ccccc1C1CCCC1NCCCCO.
What is the InChIKey of 4-[[2-(2-ethoxyphenyl)cyclopentyl]amino]butan-1-ol?
The InChIKey is XFUKTRDILGLHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-2-20-17-11-4-3-8-15(17)14-9-7-10-16(14)18-12-5-6-13-19/h3-4,8,11,14,16,18-19H,2,5-7,9-10,12-13H2,1H3.
What are the key properties of 4-[[2-(2-ethoxyphenyl)cyclopentyl]amino]butan-1-ol?
4-[[2-(2-ethoxyphenyl)cyclopentyl]amino]butan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-ethoxyphenyl)cyclopentyl]amino]butan-1-ol is sourced from PubChem (CID 166350069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).