1-(4-fluorophenyl)-1-(furan-2-ylmethoxy)propan-2-amine

C14H16FNO2 — CID 55014973

IUPAC1-(4-fluorophenyl)-1-(furan-2-ylmethoxy)propan-2-amine
SMILESCC(N)C(OCc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C14H16FNO2/c1-10(16)14(11-4-6-12(15)7-5-11)18-9-13-3-2-8-17-13/h2-8,10,14H,9,16H2,1H3
InChIKeyKIWYQDRDXKMETK-UHFFFAOYSA-N
MW249.28 g/mol
LogP3.02
Rot. Bonds5

About 1-(4-fluorophenyl)-1-(furan-2-ylmethoxy)propan-2-amine

1-(4-fluorophenyl)-1-(furan-2-ylmethoxy)propan-2-amine (PubChem CID 55014973) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-(furan-2-ylmethoxy)propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-(furan-2-ylmethoxy)propan-2-amine
PubChem CID55014973
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name1-(4-fluorophenyl)-1-(furan-2-ylmethoxy)propan-2-amine
SMILESCC(N)C(OCc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C14H16FNO2/c1-10(16)14(11-4-6-12(15)7-5-11)18-9-13-3-2-8-17-13/h2-8,10,14H,9,16H2,1H3
InChIKeyKIWYQDRDXKMETK-UHFFFAOYSA-N
XLogP3.02
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-2-(furan-2-ylmethoxy)ethanamine
CID 55014972
1-(4-chlorophenyl)-1-(furan-2-ylmethoxy)butan-2-amine
CID 55014860
2-(butan-2-yloxymethyl)furan
CID 118563774
(1R)-1-(furan-2-ylmethoxy)propane-1,2-diol
CID 69117104
1-(furan-2-ylmethoxy)ethanol
CID 20517704
1-(4-fluorophenyl)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine
CID 106447005
1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine
CID 107524245
2,2,2-trifluoro-1-(furan-2-ylmethoxy)ethanol
CID 69288025
N-ethyl-1-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]ethanamine
CID 43284973
1-(4-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine
CID 103401203
2-(hexan-2-yloxymethyl)furan
CID 141468564
(1S)-1-[3-chloro-4-(furan-2-ylmethoxy)phenyl]ethanamine
CID 78937702

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-(furan-2-ylmethoxy)propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-1-(furan-2-ylmethoxy)propan-2-amine (CID 55014973) is 1-(4-fluorophenyl)-1-(furan-2-ylmethoxy)propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-1-(furan-2-ylmethoxy)propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-1-(furan-2-ylmethoxy)propan-2-amine is CC(N)C(OCc1ccco1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-1-(furan-2-ylmethoxy)propan-2-amine?
The InChIKey is KIWYQDRDXKMETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-10(16)14(11-4-6-12(15)7-5-11)18-9-13-3-2-8-17-13/h2-8,10,14H,9,16H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-1-(furan-2-ylmethoxy)propan-2-amine?
1-(4-fluorophenyl)-1-(furan-2-ylmethoxy)propan-2-amine has a molecular weight of 249.28 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-(furan-2-ylmethoxy)propan-2-amine is sourced from PubChem (CID 55014973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).