3-[3-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol

C16H16FNO2 — CID 79709774

IUPAC3-[3-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol
SMILESCN(Cc1ccoc1)Cc1cc(F)cc(C#CCO)c1
InChIInChI=1S/C16H16FNO2/c1-18(10-14-4-6-20-12-14)11-15-7-13(3-2-5-19)8-16(17)9-15/h4,6-9,12,19H,5,10-11H2,1H3
InChIKeyYMVXCZIRHFBDIO-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.39
Rot. Bonds4

About 3-[3-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol

3-[3-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol (PubChem CID 79709774) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-[3-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[3-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol
PubChem CID79709774
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name3-[3-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol
SMILESCN(Cc1ccoc1)Cc1cc(F)cc(C#CCO)c1
InChIInChI=1S/C16H16FNO2/c1-18(10-14-4-6-20-12-14)11-15-7-13(3-2-5-19)8-16(17)9-15/h4,6-9,12,19H,5,10-11H2,1H3
InChIKeyYMVXCZIRHFBDIO-UHFFFAOYSA-N
XLogP2.39
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[3-fluoro-5-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 79710306
3-[3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-fluorophenyl]prop-2-yn-1-ol
CID 79698117
1-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl-methylamino]propan-2-ol
CID 79710757
1-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl-methylamino]-2-methylpropan-2-ol
CID 79710028
3-[3-fluoro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 79699231
3-[3-[(N,4-dimethylanilino)methyl]-5-fluorophenyl]prop-2-yn-1-ol
CID 79698941
3-[3-fluoro-5-[[methyl-(4-methylcyclohexyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 79698357
3-[2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol
CID 65322565
3-[3-fluoro-5-[[2-hydroxyethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 79709931
4-[3-fluoro-5-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]but-3-yn-1-ol
CID 79703818
3-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl-methylamino]butanenitrile
CID 79710922
4-[3-fluoro-5-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenyl]but-3-yn-1-ol
CID 79698643

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[3-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol (CID 79709774) is 3-[3-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[3-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[3-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol is CN(Cc1ccoc1)Cc1cc(F)cc(C#CCO)c1.
What is the InChIKey of 3-[3-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol?
The InChIKey is YMVXCZIRHFBDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-18(10-14-4-6-20-12-14)11-15-7-13(3-2-5-19)8-16(17)9-15/h4,6-9,12,19H,5,10-11H2,1H3.
What are the key properties of 3-[3-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol?
3-[3-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol has a molecular weight of 273.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 79709774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).