2-[5-(3-methylphenoxy)pentylamino]ethanol

C14H23NO2 — CID 2251566

IUPAC2-[5-(3-methylphenoxy)pentylamino]ethanol
SMILESCc1cccc(OCCCCCNCCO)c1
InChIInChI=1S/C14H23NO2/c1-13-6-5-7-14(12-13)17-11-4-2-3-8-15-9-10-16/h5-7,12,15-16H,2-4,8-11H2,1H3
InChIKeyMEYVLGVUFWVVNV-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.13
Rot. Bonds9

About 2-[5-(3-methylphenoxy)pentylamino]ethanol

2-[5-(3-methylphenoxy)pentylamino]ethanol (PubChem CID 2251566) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[5-(3-methylphenoxy)pentylamino]ethanol.

Molecular Properties

Compound Name2-[5-(3-methylphenoxy)pentylamino]ethanol
PubChem CID2251566
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[5-(3-methylphenoxy)pentylamino]ethanol
SMILESCc1cccc(OCCCCCNCCO)c1
InChIInChI=1S/C14H23NO2/c1-13-6-5-7-14(12-13)17-11-4-2-3-8-15-9-10-16/h5-7,12,15-16H,2-4,8-11H2,1H3
InChIKeyMEYVLGVUFWVVNV-UHFFFAOYSA-N
XLogP2.13
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.13
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-methylphenoxy)pentylamino]ethanol?
The IUPAC name of 2-[5-(3-methylphenoxy)pentylamino]ethanol (CID 2251566) is 2-[5-(3-methylphenoxy)pentylamino]ethanol.
What is the SMILES notation for 2-[5-(3-methylphenoxy)pentylamino]ethanol?
The canonical SMILES for 2-[5-(3-methylphenoxy)pentylamino]ethanol is Cc1cccc(OCCCCCNCCO)c1.
What is the InChIKey of 2-[5-(3-methylphenoxy)pentylamino]ethanol?
The InChIKey is MEYVLGVUFWVVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-13-6-5-7-14(12-13)17-11-4-2-3-8-15-9-10-16/h5-7,12,15-16H,2-4,8-11H2,1H3.
What are the key properties of 2-[5-(3-methylphenoxy)pentylamino]ethanol?
2-[5-(3-methylphenoxy)pentylamino]ethanol has a molecular weight of 237.34 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methylphenoxy)pentylamino]ethanol is sourced from PubChem (CID 2251566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).