1-[2-(2-ethylphenyl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C17H29NO2 — CID 172620668

IUPAC1-[2-(2-ethylphenyl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCCc1ccccc1CCNCC(O)COC(C)(C)C
InChIInChI=1S/C17H29NO2/c1-5-14-8-6-7-9-15(14)10-11-18-12-16(19)13-20-17(2,3)4/h6-9,16,18-19H,5,10-13H2,1-4H3
InChIKeyGBVMMWPLUMDOQE-UHFFFAOYSA-N
MW279.42 g/mol
LogP2.56
Rot. Bonds8

About 1-[2-(2-ethylphenyl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-[2-(2-ethylphenyl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 172620668) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-[2-(2-ethylphenyl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-(2-ethylphenyl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID172620668
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-[2-(2-ethylphenyl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCCc1ccccc1CCNCC(O)COC(C)(C)C
InChIInChI=1S/C17H29NO2/c1-5-14-8-6-7-9-15(14)10-11-18-12-16(19)13-20-17(2,3)4/h6-9,16,18-19H,5,10-13H2,1-4H3
InChIKeyGBVMMWPLUMDOQE-UHFFFAOYSA-N
XLogP2.56
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 52.56
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 1-[2-(2-ethylphenyl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-[2-(2-ethylphenyl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 172620668) is 1-[2-(2-ethylphenyl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-[2-(2-ethylphenyl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-[2-(2-ethylphenyl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is CCc1ccccc1CCNCC(O)COC(C)(C)C.
What is the InChIKey of 1-[2-(2-ethylphenyl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is GBVMMWPLUMDOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-14-8-6-7-9-15(14)10-11-18-12-16(19)13-20-17(2,3)4/h6-9,16,18-19H,5,10-13H2,1-4H3.
What are the key properties of 1-[2-(2-ethylphenyl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-[2-(2-ethylphenyl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 279.42 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylphenyl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 172620668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).