1-(3-tert-butyl-4-methoxyphenyl)-2-(ethylamino)ethanol

C15H25NO2 — CID 112510497

IUPAC1-(3-tert-butyl-4-methoxyphenyl)-2-(ethylamino)ethanol
SMILESCCNCC(O)c1ccc(OC)c(C(C)(C)C)c1
InChIInChI=1S/C15H25NO2/c1-6-16-10-13(17)11-7-8-14(18-5)12(9-11)15(2,3)4/h7-9,13,16-17H,6,10H2,1-5H3
InChIKeyQRGXSXRUIUFZSF-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.64
Rot. Bonds5

About 1-(3-tert-butyl-4-methoxyphenyl)-2-(ethylamino)ethanol

1-(3-tert-butyl-4-methoxyphenyl)-2-(ethylamino)ethanol (PubChem CID 112510497) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(3-tert-butyl-4-methoxyphenyl)-2-(ethylamino)ethanol.

Molecular Properties

Compound Name1-(3-tert-butyl-4-methoxyphenyl)-2-(ethylamino)ethanol
PubChem CID112510497
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(3-tert-butyl-4-methoxyphenyl)-2-(ethylamino)ethanol
SMILESCCNCC(O)c1ccc(OC)c(C(C)(C)C)c1
InChIInChI=1S/C15H25NO2/c1-6-16-10-13(17)11-7-8-14(18-5)12(9-11)15(2,3)4/h7-9,13,16-17H,6,10H2,1-5H3
InChIKeyQRGXSXRUIUFZSF-UHFFFAOYSA-N
XLogP2.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-tert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol
CID 112510511
amino-(3-tert-butyl-4-methoxyphenyl)methanol
CID 116939595
1-(2-tert-butyl-4-methoxyphenoxy)-3-(ethylamino)propan-2-ol
CID 43090696
(3-tert-butyl-4-methoxyphenyl)-cyclopropylmethanol
CID 82049131
1-(3-tert-butyl-4-methoxyphenyl)propan-1-amine
CID 82048896
1-(3-tert-butyl-4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932438
2-(3-tert-butyl-4-methoxyphenyl)octane-4,5-diol
CID 83936816
1-(3-tert-butyl-4-methoxyphenyl)-1-methoxy-N-methylmethanamine
CID 116961454
1-(3-tert-butyl-4-methoxyphenyl)-N'-methylmethanediamine
CID 116939282
3-(3-tert-butyl-4-methoxyphenyl)pentanoic acid
CID 112501948
3-[(3-tert-butyl-4-methoxyphenyl)methylamino]propane-1,2-diol
CID 115122088
1-(2-tert-butyl-4-methylphenoxy)-3-(ethylamino)propan-2-ol
CID 43343245

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-4-methoxyphenyl)-2-(ethylamino)ethanol?
The IUPAC name of 1-(3-tert-butyl-4-methoxyphenyl)-2-(ethylamino)ethanol (CID 112510497) is 1-(3-tert-butyl-4-methoxyphenyl)-2-(ethylamino)ethanol.
What is the SMILES notation for 1-(3-tert-butyl-4-methoxyphenyl)-2-(ethylamino)ethanol?
The canonical SMILES for 1-(3-tert-butyl-4-methoxyphenyl)-2-(ethylamino)ethanol is CCNCC(O)c1ccc(OC)c(C(C)(C)C)c1.
What is the InChIKey of 1-(3-tert-butyl-4-methoxyphenyl)-2-(ethylamino)ethanol?
The InChIKey is QRGXSXRUIUFZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-16-10-13(17)11-7-8-14(18-5)12(9-11)15(2,3)4/h7-9,13,16-17H,6,10H2,1-5H3.
What are the key properties of 1-(3-tert-butyl-4-methoxyphenyl)-2-(ethylamino)ethanol?
1-(3-tert-butyl-4-methoxyphenyl)-2-(ethylamino)ethanol has a molecular weight of 251.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-4-methoxyphenyl)-2-(ethylamino)ethanol is sourced from PubChem (CID 112510497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).