2-[(3-fluoro-4-methylphenyl)methylamino]-1-(furan-2-yl)ethanol

C14H16FNO2 — CID 110888245

IUPAC2-[(3-fluoro-4-methylphenyl)methylamino]-1-(furan-2-yl)ethanol
SMILESCc1ccc(CNCC(O)c2ccco2)cc1F
InChIInChI=1S/C14H16FNO2/c1-10-4-5-11(7-12(10)15)8-16-9-13(17)14-3-2-6-18-14/h2-7,13,16-17H,8-9H2,1H3
InChIKeyWFNQHJKFRMSLOB-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.55
Rot. Bonds5

About 2-[(3-fluoro-4-methylphenyl)methylamino]-1-(furan-2-yl)ethanol

2-[(3-fluoro-4-methylphenyl)methylamino]-1-(furan-2-yl)ethanol (PubChem CID 110888245) has the molecular formula C14H16FNO2 and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methylphenyl)methylamino]-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name2-[(3-fluoro-4-methylphenyl)methylamino]-1-(furan-2-yl)ethanol
PubChem CID110888245
Molecular FormulaC14H16FNO2
Molecular Weight249.29 g/mol
Exact Mass249.12
IUPAC Name2-[(3-fluoro-4-methylphenyl)methylamino]-1-(furan-2-yl)ethanol
SMILESCc1ccc(CNCC(O)c2ccco2)cc1F
InChIInChI=1S/C14H16FNO2/c1-10-4-5-11(7-12(10)15)8-16-9-13(17)14-3-2-6-18-14/h2-7,13,16-17H,8-9H2,1H3
InChIKeyWFNQHJKFRMSLOB-UHFFFAOYSA-N
XLogP2.55
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-2-[(3-fluoro-4-methylphenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]guanidine;hydroiodide
CID 111997894
1-(3,5-dimethoxyphenyl)-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol
CID 111427307
N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904534
1-[4-(difluoromethoxy)phenyl]-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol
CID 110902096
1-(furan-2-yl)-2-[[4-(methylamino)-3-nitrophenyl]methylamino]ethanol
CID 111579093
1-(furan-2-yl)-2-[(3-nitrophenyl)methylamino]ethanol
CID 60760616
N-[(3-fluoro-4-methylphenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 55245951
1-N-[(3-fluoro-4-methylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 63646570
2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol
CID 78870232
1-[(3-fluoro-4-methylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110885348
2-(3,5-dimethylanilino)-1-(furan-2-yl)ethanol
CID 55025105
1-(furan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol
CID 106398102

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methylphenyl)methylamino]-1-(furan-2-yl)ethanol?
The IUPAC name of 2-[(3-fluoro-4-methylphenyl)methylamino]-1-(furan-2-yl)ethanol (CID 110888245) is 2-[(3-fluoro-4-methylphenyl)methylamino]-1-(furan-2-yl)ethanol.
What is the SMILES notation for 2-[(3-fluoro-4-methylphenyl)methylamino]-1-(furan-2-yl)ethanol?
The canonical SMILES for 2-[(3-fluoro-4-methylphenyl)methylamino]-1-(furan-2-yl)ethanol is Cc1ccc(CNCC(O)c2ccco2)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-methylphenyl)methylamino]-1-(furan-2-yl)ethanol?
The InChIKey is WFNQHJKFRMSLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-10-4-5-11(7-12(10)15)8-16-9-13(17)14-3-2-6-18-14/h2-7,13,16-17H,8-9H2,1H3.
What are the key properties of 2-[(3-fluoro-4-methylphenyl)methylamino]-1-(furan-2-yl)ethanol?
2-[(3-fluoro-4-methylphenyl)methylamino]-1-(furan-2-yl)ethanol has a molecular weight of 249.29 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methylphenyl)methylamino]-1-(furan-2-yl)ethanol is sourced from PubChem (CID 110888245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).