1-(4-fluorophenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol

C14H16FNO2 — CID 60761067

IUPAC1-(4-fluorophenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol
SMILESCc1ccc(CNCC(O)c2ccc(F)cc2)o1
InChIInChI=1S/C14H16FNO2/c1-10-2-7-13(18-10)8-16-9-14(17)11-3-5-12(15)6-4-11/h2-7,14,16-17H,8-9H2,1H3
InChIKeyFEIXAMPACXFVGU-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.55
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol

1-(4-fluorophenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol (PubChem CID 60761067) has the molecular formula C14H16FNO2 and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol
PubChem CID60761067
Molecular FormulaC14H16FNO2
Molecular Weight249.29 g/mol
Exact Mass249.12
IUPAC Name1-(4-fluorophenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol
SMILESCc1ccc(CNCC(O)c2ccc(F)cc2)o1
InChIInChI=1S/C14H16FNO2/c1-10-2-7-13(18-10)8-16-9-14(17)11-3-5-12(15)6-4-11/h2-7,14,16-17H,8-9H2,1H3
InChIKeyFEIXAMPACXFVGU-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-(4-fluorophenyl)-2-(1,2-oxazol-5-ylmethylamino)ethanol
CID 113223093
2-[(5-methylfuran-2-yl)methylamino]-1-(2-methylphenyl)ethanol
CID 111118617
1-(3-methoxyphenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol
CID 78954234
2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride
CID 50999742
1-(4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 54594094
(1R)-3-[(5-methylfuran-2-yl)methylamino]-1-phenylpropan-1-ol
CID 112742110
2-hydroxy-3-[(5-methylfuran-2-yl)methylamino]propanamide
CID 106170390
2-[(4-fluorophenyl)methylamino]-1-(4-propylphenyl)ethanol
CID 82316019
2-[(2-ethylphenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 64681384
1-(4-fluorophenyl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol
CID 62848099
[(5-methylfuran-2-yl)methylamino]methanol
CID 115229060
1-(diethylamino)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol
CID 55081357

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol (CID 60761067) is 1-(4-fluorophenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol is Cc1ccc(CNCC(O)c2ccc(F)cc2)o1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol?
The InChIKey is FEIXAMPACXFVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-10-2-7-13(18-10)8-16-9-14(17)11-3-5-12(15)6-4-11/h2-7,14,16-17H,8-9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol?
1-(4-fluorophenyl)-2-[(5-methylfuran-2-yl)methylamino]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 1-(4-fluorophenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol is sourced from PubChem (CID 60761067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).