1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol

C14H23NO3 — CID 113450094

IUPAC1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
SMILESCOc1cccc(C(O)CNCCOC(C)C)c1
InChIInChI=1S/C14H23NO3/c1-11(2)18-8-7-15-10-14(16)12-5-4-6-13(9-12)17-3/h4-6,9,11,14-16H,7-8,10H2,1-3H3
InChIKeyYNKHIQFHWTWAAE-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.74
Rot. Bonds8

About 1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol

1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol (PubChem CID 113450094) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
PubChem CID113450094
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
SMILESCOc1cccc(C(O)CNCCOC(C)C)c1
InChIInChI=1S/C14H23NO3/c1-11(2)18-8-7-15-10-14(16)12-5-4-6-13(9-12)17-3/h4-6,9,11,14-16H,7-8,10H2,1-3H3
InChIKeyYNKHIQFHWTWAAE-UHFFFAOYSA-N
XLogP1.74
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.74
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

2-(2-ethoxyethylamino)-1-(3-methoxyphenyl)ethanol
CID 78966701
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
1-(3-methoxyphenyl)-2-(4-methylpentylamino)ethanol
CID 78966982
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-1-methoxybutan-2-ol
CID 106246707
1-(3-methoxyphenyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol
CID 78966774
1-(3-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol
CID 81133898
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
CID 78967042
1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol
CID 114616947
1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 78966811
2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide
CID 81134737
2-[2-(4-fluorophenyl)propylamino]-1-(3-methoxyphenyl)ethanol
CID 111382295
1-(3-methoxyphenyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanol
CID 81134031

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol (CID 113450094) is 1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol is COc1cccc(C(O)CNCCOC(C)C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol?
The InChIKey is YNKHIQFHWTWAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-11(2)18-8-7-15-10-14(16)12-5-4-6-13(9-12)17-3/h4-6,9,11,14-16H,7-8,10H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol?
1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol has a molecular weight of 253.34 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol is sourced from PubChem (CID 113450094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).