2-[5-(2,4,6-trimethylphenoxy)pentylamino]ethanol

C16H27NO2 — CID 2249855

IUPAC2-[5-(2,4,6-trimethylphenoxy)pentylamino]ethanol
SMILESCc1cc(C)c(OCCCCCNCCO)c(C)c1
InChIInChI=1S/C16H27NO2/c1-13-11-14(2)16(15(3)12-13)19-10-6-4-5-7-17-8-9-18/h11-12,17-18H,4-10H2,1-3H3
InChIKeySEJLAPHMCNYZHT-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.74
Rot. Bonds9

About 2-[5-(2,4,6-trimethylphenoxy)pentylamino]ethanol

2-[5-(2,4,6-trimethylphenoxy)pentylamino]ethanol (PubChem CID 2249855) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[5-(2,4,6-trimethylphenoxy)pentylamino]ethanol.

Molecular Properties

Compound Name2-[5-(2,4,6-trimethylphenoxy)pentylamino]ethanol
PubChem CID2249855
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-[5-(2,4,6-trimethylphenoxy)pentylamino]ethanol
SMILESCc1cc(C)c(OCCCCCNCCO)c(C)c1
InChIInChI=1S/C16H27NO2/c1-13-11-14(2)16(15(3)12-13)19-10-6-4-5-7-17-8-9-18/h11-12,17-18H,4-10H2,1-3H3
InChIKeySEJLAPHMCNYZHT-UHFFFAOYSA-N
XLogP2.74
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.74
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-(2,4,6-trimethylphenoxy)pentylamino]ethanol?
The IUPAC name of 2-[5-(2,4,6-trimethylphenoxy)pentylamino]ethanol (CID 2249855) is 2-[5-(2,4,6-trimethylphenoxy)pentylamino]ethanol.
What is the SMILES notation for 2-[5-(2,4,6-trimethylphenoxy)pentylamino]ethanol?
The canonical SMILES for 2-[5-(2,4,6-trimethylphenoxy)pentylamino]ethanol is Cc1cc(C)c(OCCCCCNCCO)c(C)c1.
What is the InChIKey of 2-[5-(2,4,6-trimethylphenoxy)pentylamino]ethanol?
The InChIKey is SEJLAPHMCNYZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13-11-14(2)16(15(3)12-13)19-10-6-4-5-7-17-8-9-18/h11-12,17-18H,4-10H2,1-3H3.
What are the key properties of 2-[5-(2,4,6-trimethylphenoxy)pentylamino]ethanol?
2-[5-(2,4,6-trimethylphenoxy)pentylamino]ethanol has a molecular weight of 265.40 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4,6-trimethylphenoxy)pentylamino]ethanol is sourced from PubChem (CID 2249855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).