5-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol

C14H23NO3 — CID 114147540

IUPAC5-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol
SMILESCOc1ccccc1OCCNCCCC(C)O
InChIInChI=1S/C14H23NO3/c1-12(16)6-5-9-15-10-11-18-14-8-4-3-7-13(14)17-2/h3-4,7-8,12,15-16H,5-6,9-11H2,1-2H3
InChIKeyCUHQOROFFDXODF-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.82
Rot. Bonds9

About 5-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol

5-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol (PubChem CID 114147540) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 5-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol.

Molecular Properties

Compound Name5-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol
PubChem CID114147540
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name5-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol
SMILESCOc1ccccc1OCCNCCCC(C)O
InChIInChI=1S/C14H23NO3/c1-12(16)6-5-9-15-10-11-18-14-8-4-3-7-13(14)17-2/h3-4,7-8,12,15-16H,5-6,9-11H2,1-2H3
InChIKeyCUHQOROFFDXODF-UHFFFAOYSA-N
XLogP1.82
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyphenoxy)ethyl]hexadecan-1-amine
CID 54796021
1-[2-(2-methoxyphenoxy)ethylamino]-4-methylpentan-2-ol
CID 107152431
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropan-1-amine;hydrochloride
CID 117067322
5-[2-(2-ethoxyphenoxy)ethylamino]-2-methylpentan-1-ol
CID 106160266
4-chloro-N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine
CID 106121638
2-(2-methoxyphenoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 55024329
2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propanamide
CID 106174794
(2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-propoxypropan-2-ol
CID 125487777
2-[(4-hydroxypentylamino)methyl]-6-methoxyphenol
CID 107267707
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113099759
1-[2-(2-methoxyphenoxy)ethylamino]-2-methylpropan-2-ol
CID 63239759
5-[(3-methoxy-2-pyridinyl)amino]pentan-2-ol
CID 106128585

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol?
The IUPAC name of 5-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol (CID 114147540) is 5-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol.
What is the SMILES notation for 5-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol?
The canonical SMILES for 5-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol is COc1ccccc1OCCNCCCC(C)O.
What is the InChIKey of 5-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol?
The InChIKey is CUHQOROFFDXODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-12(16)6-5-9-15-10-11-18-14-8-4-3-7-13(14)17-2/h3-4,7-8,12,15-16H,5-6,9-11H2,1-2H3.
What are the key properties of 5-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol?
5-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol has a molecular weight of 253.34 g/mol, XLogP of 1.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol is sourced from PubChem (CID 114147540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).