5-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]benzene-1,3-diol

C16H21NO3 — CID 107706398

IUPAC5-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]benzene-1,3-diol
SMILESCc1cc(C(C)NC(C)c2cc(O)cc(O)c2)c(C)o1
InChIInChI=1S/C16H21NO3/c1-9-5-16(12(4)20-9)11(3)17-10(2)13-6-14(18)8-15(19)7-13/h5-8,10-11,17-19H,1-4H3
InChIKeyVKYYHQZZPZXZCX-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.72
Rot. Bonds4

About 5-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]benzene-1,3-diol

5-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]benzene-1,3-diol (PubChem CID 107706398) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]benzene-1,3-diol
PubChem CID107706398
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name5-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]benzene-1,3-diol
SMILESCc1cc(C(C)NC(C)c2cc(O)cc(O)c2)c(C)o1
InChIInChI=1S/C16H21NO3/c1-9-5-16(12(4)20-9)11(3)17-10(2)13-6-14(18)8-15(19)7-13/h5-8,10-11,17-19H,1-4H3
InChIKeyVKYYHQZZPZXZCX-UHFFFAOYSA-N
XLogP3.72
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43121349
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62091070
2-[1-(2,5-dimethylfuran-3-yl)ethylamino]propane-1,3-diol
CID 65312937
1-(3-bromophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine
CID 43673332
(1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81373945
5-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzene-1,3-diol
CID 107706906
(1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81407144
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 60944672
2-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propane-1,2-diamine
CID 103389665
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60927070
5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]benzene-1,3-diol
CID 107706935
(2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-phenylethanol
CID 107093791

Frequently Asked Questions

What is the IUPAC name of 5-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]benzene-1,3-diol (CID 107706398) is 5-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]benzene-1,3-diol is Cc1cc(C(C)NC(C)c2cc(O)cc(O)c2)c(C)o1.
What is the InChIKey of 5-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]benzene-1,3-diol?
The InChIKey is VKYYHQZZPZXZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-9-5-16(12(4)20-9)11(3)17-10(2)13-6-14(18)8-15(19)7-13/h5-8,10-11,17-19H,1-4H3.
What are the key properties of 5-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]benzene-1,3-diol?
5-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]benzene-1,3-diol has a molecular weight of 275.35 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107706398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).