2-[5-(3,5-dimethylphenoxy)pentylamino]ethanol

C15H25NO2 — CID 2249966

IUPAC2-[5-(3,5-dimethylphenoxy)pentylamino]ethanol
SMILESCc1cc(C)cc(OCCCCCNCCO)c1
InChIInChI=1S/C15H25NO2/c1-13-10-14(2)12-15(11-13)18-9-5-3-4-6-16-7-8-17/h10-12,16-17H,3-9H2,1-2H3
InChIKeyHCJBWSGTQDIJKT-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.43
Rot. Bonds9

About 2-[5-(3,5-dimethylphenoxy)pentylamino]ethanol

2-[5-(3,5-dimethylphenoxy)pentylamino]ethanol (PubChem CID 2249966) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[5-(3,5-dimethylphenoxy)pentylamino]ethanol.

Molecular Properties

Compound Name2-[5-(3,5-dimethylphenoxy)pentylamino]ethanol
PubChem CID2249966
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-[5-(3,5-dimethylphenoxy)pentylamino]ethanol
SMILESCc1cc(C)cc(OCCCCCNCCO)c1
InChIInChI=1S/C15H25NO2/c1-13-10-14(2)12-15(11-13)18-9-5-3-4-6-16-7-8-17/h10-12,16-17H,3-9H2,1-2H3
InChIKeyHCJBWSGTQDIJKT-UHFFFAOYSA-N
XLogP2.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.43
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-(3,5-dimethylphenoxy)pentylamino]ethanol?
The IUPAC name of 2-[5-(3,5-dimethylphenoxy)pentylamino]ethanol (CID 2249966) is 2-[5-(3,5-dimethylphenoxy)pentylamino]ethanol.
What is the SMILES notation for 2-[5-(3,5-dimethylphenoxy)pentylamino]ethanol?
The canonical SMILES for 2-[5-(3,5-dimethylphenoxy)pentylamino]ethanol is Cc1cc(C)cc(OCCCCCNCCO)c1.
What is the InChIKey of 2-[5-(3,5-dimethylphenoxy)pentylamino]ethanol?
The InChIKey is HCJBWSGTQDIJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-13-10-14(2)12-15(11-13)18-9-5-3-4-6-16-7-8-17/h10-12,16-17H,3-9H2,1-2H3.
What are the key properties of 2-[5-(3,5-dimethylphenoxy)pentylamino]ethanol?
2-[5-(3,5-dimethylphenoxy)pentylamino]ethanol has a molecular weight of 251.37 g/mol, XLogP of 2.43, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,5-dimethylphenoxy)pentylamino]ethanol is sourced from PubChem (CID 2249966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).