2-[5-(2-propan-2-ylphenoxy)pentylamino]ethanol

C16H27NO2 — CID 2249073

IUPAC2-[5-(2-propan-2-ylphenoxy)pentylamino]ethanol
SMILESCC(C)c1ccccc1OCCCCCNCCO
InChIInChI=1S/C16H27NO2/c1-14(2)15-8-4-5-9-16(15)19-13-7-3-6-10-17-11-12-18/h4-5,8-9,14,17-18H,3,6-7,10-13H2,1-2H3
InChIKeyQBSZKPXSJZSUFQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.94
Rot. Bonds10

About 2-[5-(2-propan-2-ylphenoxy)pentylamino]ethanol

2-[5-(2-propan-2-ylphenoxy)pentylamino]ethanol (PubChem CID 2249073) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[5-(2-propan-2-ylphenoxy)pentylamino]ethanol.

Molecular Properties

Compound Name2-[5-(2-propan-2-ylphenoxy)pentylamino]ethanol
PubChem CID2249073
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-[5-(2-propan-2-ylphenoxy)pentylamino]ethanol
SMILESCC(C)c1ccccc1OCCCCCNCCO
InChIInChI=1S/C16H27NO2/c1-14(2)15-8-4-5-9-16(15)19-13-7-3-6-10-17-11-12-18/h4-5,8-9,14,17-18H,3,6-7,10-13H2,1-2H3
InChIKeyQBSZKPXSJZSUFQ-UHFFFAOYSA-N
XLogP2.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.94
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 2-[5-(2-propan-2-ylphenoxy)pentylamino]ethanol?
The IUPAC name of 2-[5-(2-propan-2-ylphenoxy)pentylamino]ethanol (CID 2249073) is 2-[5-(2-propan-2-ylphenoxy)pentylamino]ethanol.
What is the SMILES notation for 2-[5-(2-propan-2-ylphenoxy)pentylamino]ethanol?
The canonical SMILES for 2-[5-(2-propan-2-ylphenoxy)pentylamino]ethanol is CC(C)c1ccccc1OCCCCCNCCO.
What is the InChIKey of 2-[5-(2-propan-2-ylphenoxy)pentylamino]ethanol?
The InChIKey is QBSZKPXSJZSUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-14(2)15-8-4-5-9-16(15)19-13-7-3-6-10-17-11-12-18/h4-5,8-9,14,17-18H,3,6-7,10-13H2,1-2H3.
What are the key properties of 2-[5-(2-propan-2-ylphenoxy)pentylamino]ethanol?
2-[5-(2-propan-2-ylphenoxy)pentylamino]ethanol has a molecular weight of 265.40 g/mol, XLogP of 2.94, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-propan-2-ylphenoxy)pentylamino]ethanol is sourced from PubChem (CID 2249073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).