1-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropan-2-amine

C14H16FNO — CID 55182085

IUPAC1-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C14H16FNO/c1-10(16-2)9-11-7-8-14(17-11)12-5-3-4-6-13(12)15/h3-8,10,16H,9H2,1-2H3
InChIKeyDTDYLDCXCQODFM-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.24
Rot. Bonds4

About 1-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropan-2-amine

1-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropan-2-amine (PubChem CID 55182085) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropan-2-amine
PubChem CID55182085
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name1-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C14H16FNO/c1-10(16-2)9-11-7-8-14(17-11)12-5-3-4-6-13(12)15/h3-8,10,16H,9H2,1-2H3
InChIKeyDTDYLDCXCQODFM-UHFFFAOYSA-N
XLogP3.24
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropan-2-amine (CID 55182085) is 1-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropan-2-amine is CNC(C)Cc1ccc(-c2ccccc2F)o1.
What is the InChIKey of 1-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropan-2-amine?
The InChIKey is DTDYLDCXCQODFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-10(16-2)9-11-7-8-14(17-11)12-5-3-4-6-13(12)15/h3-8,10,16H,9H2,1-2H3.
What are the key properties of 1-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropan-2-amine?
1-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropan-2-amine has a molecular weight of 233.29 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 55182085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).