2-(2,5-dimethylfuran-3-yl)-1-[(3-ethoxyphenyl)methylamino]propan-2-ol

C18H25NO3 — CID 111467685

IUPAC2-(2,5-dimethylfuran-3-yl)-1-[(3-ethoxyphenyl)methylamino]propan-2-ol
SMILESCCOc1cccc(CNCC(C)(O)c2cc(C)oc2C)c1
InChIInChI=1S/C18H25NO3/c1-5-21-16-8-6-7-15(10-16)11-19-12-18(4,20)17-9-13(2)22-14(17)3/h6-10,19-20H,5,11-12H2,1-4H3
InChIKeyMTAAKWATEYBLNQ-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.29
Rot. Bonds7

About 2-(2,5-dimethylfuran-3-yl)-1-[(3-ethoxyphenyl)methylamino]propan-2-ol

2-(2,5-dimethylfuran-3-yl)-1-[(3-ethoxyphenyl)methylamino]propan-2-ol (PubChem CID 111467685) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-(2,5-dimethylfuran-3-yl)-1-[(3-ethoxyphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name2-(2,5-dimethylfuran-3-yl)-1-[(3-ethoxyphenyl)methylamino]propan-2-ol
PubChem CID111467685
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name2-(2,5-dimethylfuran-3-yl)-1-[(3-ethoxyphenyl)methylamino]propan-2-ol
SMILESCCOc1cccc(CNCC(C)(O)c2cc(C)oc2C)c1
InChIInChI=1S/C18H25NO3/c1-5-21-16-8-6-7-15(10-16)11-19-12-18(4,20)17-9-13(2)22-14(17)3/h6-10,19-20H,5,11-12H2,1-4H3
InChIKeyMTAAKWATEYBLNQ-UHFFFAOYSA-N
XLogP3.29
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]methyl]benzonitrile
CID 111467740
2-(2,5-dimethylfuran-3-yl)-1-[(3-nitrophenyl)methylamino]propan-2-ol
CID 111467680
3-[(3-ethoxyphenyl)methylamino]-2-methylpropane-1,2-diol
CID 66168780
N-[(3-ethoxyphenyl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 60957806
1-(3-ethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 60776548
1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
4-[[(3-ethoxyphenyl)methylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 103240004
1-[(4-ethoxyphenyl)methylamino]-2-phenylpropan-2-ol
CID 111121689
4-[[(3-ethoxyphenyl)methylamino]methyl]phenol
CID 60777598
N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 2227150
N-[(3-ethoxyphenyl)methyl]prop-2-yn-1-amine
CID 60873507
N-[(3-ethoxyphenyl)methyl]-3-methylbut-2-en-1-amine
CID 103527853

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylfuran-3-yl)-1-[(3-ethoxyphenyl)methylamino]propan-2-ol?
The IUPAC name of 2-(2,5-dimethylfuran-3-yl)-1-[(3-ethoxyphenyl)methylamino]propan-2-ol (CID 111467685) is 2-(2,5-dimethylfuran-3-yl)-1-[(3-ethoxyphenyl)methylamino]propan-2-ol.
What is the SMILES notation for 2-(2,5-dimethylfuran-3-yl)-1-[(3-ethoxyphenyl)methylamino]propan-2-ol?
The canonical SMILES for 2-(2,5-dimethylfuran-3-yl)-1-[(3-ethoxyphenyl)methylamino]propan-2-ol is CCOc1cccc(CNCC(C)(O)c2cc(C)oc2C)c1.
What is the InChIKey of 2-(2,5-dimethylfuran-3-yl)-1-[(3-ethoxyphenyl)methylamino]propan-2-ol?
The InChIKey is MTAAKWATEYBLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-5-21-16-8-6-7-15(10-16)11-19-12-18(4,20)17-9-13(2)22-14(17)3/h6-10,19-20H,5,11-12H2,1-4H3.
What are the key properties of 2-(2,5-dimethylfuran-3-yl)-1-[(3-ethoxyphenyl)methylamino]propan-2-ol?
2-(2,5-dimethylfuran-3-yl)-1-[(3-ethoxyphenyl)methylamino]propan-2-ol has a molecular weight of 303.40 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylfuran-3-yl)-1-[(3-ethoxyphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 111467685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).