1-[2-(2-methoxyphenoxy)ethylamino]-4-methylpentan-2-ol

C15H25NO3 — CID 107152431

IUPAC1-[2-(2-methoxyphenoxy)ethylamino]-4-methylpentan-2-ol
SMILESCOc1ccccc1OCCNCC(O)CC(C)C
InChIInChI=1S/C15H25NO3/c1-12(2)10-13(17)11-16-8-9-19-15-7-5-4-6-14(15)18-3/h4-7,12-13,16-17H,8-11H2,1-3H3
InChIKeyXBKUNEJJYGUFNR-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.07
Rot. Bonds9

About 1-[2-(2-methoxyphenoxy)ethylamino]-4-methylpentan-2-ol

1-[2-(2-methoxyphenoxy)ethylamino]-4-methylpentan-2-ol (PubChem CID 107152431) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenoxy)ethylamino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[2-(2-methoxyphenoxy)ethylamino]-4-methylpentan-2-ol
PubChem CID107152431
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[2-(2-methoxyphenoxy)ethylamino]-4-methylpentan-2-ol
SMILESCOc1ccccc1OCCNCC(O)CC(C)C
InChIInChI=1S/C15H25NO3/c1-12(2)10-13(17)11-16-8-9-19-15-7-5-4-6-14(15)18-3/h4-7,12-13,16-17H,8-11H2,1-3H3
InChIKeyXBKUNEJJYGUFNR-UHFFFAOYSA-N
XLogP2.07
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.07
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]-2-methylpropan-1-amine;hydrochloride
CID 117067322
(2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-propoxypropan-2-ol
CID 125487777
2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propanamide
CID 106174794
(2R)-1-[(E)-hex-3-enoxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
CID 125487765
5-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol
CID 114147540
N-(2-hydroxy-4-methylpentyl)-2-(2-methoxyphenoxy)acetamide
CID 103770844
1-(1-adamantyloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
CID 72711820
methyl 2-iodo-3-[2-(2-methoxyphenoxy)ethylamino]propanoate
CID 103492017
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;propan-2-ol;hydrobromide
CID 11376246
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
CID 2585
4-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-1-methoxybutan-2-ol
CID 106246755
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;hydrochloride
CID 11419372

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenoxy)ethylamino]-4-methylpentan-2-ol?
The IUPAC name of 1-[2-(2-methoxyphenoxy)ethylamino]-4-methylpentan-2-ol (CID 107152431) is 1-[2-(2-methoxyphenoxy)ethylamino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[2-(2-methoxyphenoxy)ethylamino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[2-(2-methoxyphenoxy)ethylamino]-4-methylpentan-2-ol is COc1ccccc1OCCNCC(O)CC(C)C.
What is the InChIKey of 1-[2-(2-methoxyphenoxy)ethylamino]-4-methylpentan-2-ol?
The InChIKey is XBKUNEJJYGUFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-12(2)10-13(17)11-16-8-9-19-15-7-5-4-6-14(15)18-3/h4-7,12-13,16-17H,8-11H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyphenoxy)ethylamino]-4-methylpentan-2-ol?
1-[2-(2-methoxyphenoxy)ethylamino]-4-methylpentan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenoxy)ethylamino]-4-methylpentan-2-ol is sourced from PubChem (CID 107152431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).