2-[5-(2-tert-butylphenoxy)pentylamino]ethanol

C17H29NO2 — CID 2251058

IUPAC2-[5-(2-tert-butylphenoxy)pentylamino]ethanol
SMILESCC(C)(C)c1ccccc1OCCCCCNCCO
InChIInChI=1S/C17H29NO2/c1-17(2,3)15-9-5-6-10-16(15)20-14-8-4-7-11-18-12-13-19/h5-6,9-10,18-19H,4,7-8,11-14H2,1-3H3
InChIKeyZVKXCFPICVDNLS-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.12
Rot. Bonds9

About 2-[5-(2-tert-butylphenoxy)pentylamino]ethanol

2-[5-(2-tert-butylphenoxy)pentylamino]ethanol (PubChem CID 2251058) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-[5-(2-tert-butylphenoxy)pentylamino]ethanol.

Molecular Properties

Compound Name2-[5-(2-tert-butylphenoxy)pentylamino]ethanol
PubChem CID2251058
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-[5-(2-tert-butylphenoxy)pentylamino]ethanol
SMILESCC(C)(C)c1ccccc1OCCCCCNCCO
InChIInChI=1S/C17H29NO2/c1-17(2,3)15-9-5-6-10-16(15)20-14-8-4-7-11-18-12-13-19/h5-6,9-10,18-19H,4,7-8,11-14H2,1-3H3
InChIKeyZVKXCFPICVDNLS-UHFFFAOYSA-N
XLogP3.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.12
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-tert-butylphenoxy)pentylamino]ethanol?
The IUPAC name of 2-[5-(2-tert-butylphenoxy)pentylamino]ethanol (CID 2251058) is 2-[5-(2-tert-butylphenoxy)pentylamino]ethanol.
What is the SMILES notation for 2-[5-(2-tert-butylphenoxy)pentylamino]ethanol?
The canonical SMILES for 2-[5-(2-tert-butylphenoxy)pentylamino]ethanol is CC(C)(C)c1ccccc1OCCCCCNCCO.
What is the InChIKey of 2-[5-(2-tert-butylphenoxy)pentylamino]ethanol?
The InChIKey is ZVKXCFPICVDNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-17(2,3)15-9-5-6-10-16(15)20-14-8-4-7-11-18-12-13-19/h5-6,9-10,18-19H,4,7-8,11-14H2,1-3H3.
What are the key properties of 2-[5-(2-tert-butylphenoxy)pentylamino]ethanol?
2-[5-(2-tert-butylphenoxy)pentylamino]ethanol has a molecular weight of 279.42 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-tert-butylphenoxy)pentylamino]ethanol is sourced from PubChem (CID 2251058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).