1-[2-[(tert-butylamino)methyl]-6-ethoxyphenoxy]propan-2-ol

C16H27NO3 — CID 63057467

IUPAC1-[2-[(tert-butylamino)methyl]-6-ethoxyphenoxy]propan-2-ol
SMILESCCOc1cccc(CNC(C)(C)C)c1OCC(C)O
InChIInChI=1S/C16H27NO3/c1-6-19-14-9-7-8-13(10-17-16(3,4)5)15(14)20-11-12(2)18/h7-9,12,17-18H,6,10-11H2,1-5H3
InChIKeyYHYPYVVBLKKGLU-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.73
Rot. Bonds7

About 1-[2-[(tert-butylamino)methyl]-6-ethoxyphenoxy]propan-2-ol

1-[2-[(tert-butylamino)methyl]-6-ethoxyphenoxy]propan-2-ol (PubChem CID 63057467) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[2-[(tert-butylamino)methyl]-6-ethoxyphenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-[(tert-butylamino)methyl]-6-ethoxyphenoxy]propan-2-ol
PubChem CID63057467
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-[2-[(tert-butylamino)methyl]-6-ethoxyphenoxy]propan-2-ol
SMILESCCOc1cccc(CNC(C)(C)C)c1OCC(C)O
InChIInChI=1S/C16H27NO3/c1-6-19-14-9-7-8-13(10-17-16(3,4)5)15(14)20-11-12(2)18/h7-9,12,17-18H,6,10-11H2,1-5H3
InChIKeyYHYPYVVBLKKGLU-UHFFFAOYSA-N
XLogP2.73
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 60881141
1-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]propan-2-ol
CID 112610429
1-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]propan-2-ol
CID 112610710
N-[[3-ethoxy-2-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 81106292
1-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol
CID 63929615
2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine
CID 112610190
1-ethoxy-3-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 63934160
1-[2-methoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 60887437
N-[(2,3-diethoxyphenyl)methyl]ethanamine
CID 43278924
N-[[3-bromo-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 55192514
2-[(3-ethoxy-2-methoxyphenyl)methylamino]-2-methylpropan-1-ol
CID 43771181
3-ethoxy-2-(2-hydroxypropoxy)benzoic acid
CID 60884976

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(tert-butylamino)methyl]-6-ethoxyphenoxy]propan-2-ol?
The IUPAC name of 1-[2-[(tert-butylamino)methyl]-6-ethoxyphenoxy]propan-2-ol (CID 63057467) is 1-[2-[(tert-butylamino)methyl]-6-ethoxyphenoxy]propan-2-ol.
What is the SMILES notation for 1-[2-[(tert-butylamino)methyl]-6-ethoxyphenoxy]propan-2-ol?
The canonical SMILES for 1-[2-[(tert-butylamino)methyl]-6-ethoxyphenoxy]propan-2-ol is CCOc1cccc(CNC(C)(C)C)c1OCC(C)O.
What is the InChIKey of 1-[2-[(tert-butylamino)methyl]-6-ethoxyphenoxy]propan-2-ol?
The InChIKey is YHYPYVVBLKKGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-6-19-14-9-7-8-13(10-17-16(3,4)5)15(14)20-11-12(2)18/h7-9,12,17-18H,6,10-11H2,1-5H3.
What are the key properties of 1-[2-[(tert-butylamino)methyl]-6-ethoxyphenoxy]propan-2-ol?
1-[2-[(tert-butylamino)methyl]-6-ethoxyphenoxy]propan-2-ol has a molecular weight of 281.40 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(tert-butylamino)methyl]-6-ethoxyphenoxy]propan-2-ol is sourced from PubChem (CID 63057467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).