2-(furan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol

C16H21NO3 — CID 82314079

IUPAC2-(furan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol
SMILESCCCOc1ccc(C(O)CNCc2ccco2)cc1
InChIInChI=1S/C16H21NO3/c1-2-9-19-14-7-5-13(6-8-14)16(18)12-17-11-15-4-3-10-20-15/h3-8,10,16-18H,2,9,11-12H2,1H3
InChIKeyCHMSDFXPYZUANJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.89
Rot. Bonds8

About 2-(furan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol

2-(furan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol (PubChem CID 82314079) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol
PubChem CID82314079
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-(furan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol
SMILESCCCOc1ccc(C(O)CNCc2ccco2)cc1
InChIInChI=1S/C16H21NO3/c1-2-9-19-14-7-5-13(6-8-14)16(18)12-17-11-15-4-3-10-20-15/h3-8,10,16-18H,2,9,11-12H2,1H3
InChIKeyCHMSDFXPYZUANJ-UHFFFAOYSA-N
XLogP2.89
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)-2-(furan-2-ylmethylamino)ethanol
CID 112501576
2-(furan-2-ylmethylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 60901127
2-(methylamino)-1-(4-propoxyphenyl)ethanol
CID 62772547
2-(pentylamino)-1-(4-propoxyphenyl)ethanol
CID 82314080
furan-2-yl-(4-propoxyphenyl)methanol
CID 62796281
2-(3-methoxypropylamino)-1-(4-propoxyphenyl)ethanol
CID 82314072
1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethylamino)ethanol
CID 112510911
1-(furan-2-ylmethylamino)-3,3-dimethylbutan-2-ol
CID 115623530
N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)ethanamine
CID 2299658
(1R)-1-phenyl-2-[(3-propoxyphenyl)methylamino]ethanol
CID 29222092
2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanamine
CID 64609270
2-(oxolan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol
CID 82314086

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol?
The IUPAC name of 2-(furan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol (CID 82314079) is 2-(furan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol?
The canonical SMILES for 2-(furan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol is CCCOc1ccc(C(O)CNCc2ccco2)cc1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol?
The InChIKey is CHMSDFXPYZUANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-9-19-14-7-5-13(6-8-14)16(18)12-17-11-15-4-3-10-20-15/h3-8,10,16-18H,2,9,11-12H2,1H3.
What are the key properties of 2-(furan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol?
2-(furan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol has a molecular weight of 275.35 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol is sourced from PubChem (CID 82314079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).