3-(4-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-1-amine

C14H16FNO — CID 123908841

IUPAC3-(4-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-1-amine
SMILESCNCCC(c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C14H16FNO/c1-16-9-8-13(14-3-2-10-17-14)11-4-6-12(15)7-5-11/h2-7,10,13,16H,8-9H2,1H3
InChIKeyJXZKMXBYRQKKEF-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.16
Rot. Bonds5

About 3-(4-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-1-amine

3-(4-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-1-amine (PubChem CID 123908841) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-1-amine
PubChem CID123908841
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name3-(4-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-1-amine
SMILESCNCCC(c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C14H16FNO/c1-16-9-8-13(14-3-2-10-17-14)11-4-6-12(15)7-5-11/h2-7,10,13,16H,8-9H2,1H3
InChIKeyJXZKMXBYRQKKEF-UHFFFAOYSA-N
XLogP3.16
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-1-amine (CID 123908841) is 3-(4-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-1-amine is CNCCC(c1ccc(F)cc1)c1ccco1.
What is the InChIKey of 3-(4-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-1-amine?
The InChIKey is JXZKMXBYRQKKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-16-9-8-13(14-3-2-10-17-14)11-4-6-12(15)7-5-11/h2-7,10,13,16H,8-9H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-1-amine?
3-(4-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-1-amine has a molecular weight of 233.29 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 123908841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).