3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]propan-1-amine

C21H22FNO2 — CID 2929613

IUPAC3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]propan-1-amine
SMILESCOc1ccc(CNCCC(c2ccc(F)cc2)c2ccco2)cc1
InChIInChI=1S/C21H22FNO2/c1-24-19-10-4-16(5-11-19)15-23-13-12-20(21-3-2-14-25-21)17-6-8-18(22)9-7-17/h2-11,14,20,23H,12-13,15H2,1H3
InChIKeyQFSYWFLKAGTKFJ-UHFFFAOYSA-N
MW339.41 g/mol
LogP4.74
Rot. Bonds8

About 3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]propan-1-amine

3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]propan-1-amine (PubChem CID 2929613) has the molecular formula C21H22FNO2 and a molecular weight of 339.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]propan-1-amine
PubChem CID2929613
Molecular FormulaC21H22FNO2
Molecular Weight339.41 g/mol
Exact Mass339.16
IUPAC Name3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]propan-1-amine
SMILESCOc1ccc(CNCCC(c2ccc(F)cc2)c2ccco2)cc1
InChIInChI=1S/C21H22FNO2/c1-24-19-10-4-16(5-11-19)15-23-13-12-20(21-3-2-14-25-21)17-6-8-18(22)9-7-17/h2-11,14,20,23H,12-13,15H2,1H3
InChIKeyQFSYWFLKAGTKFJ-UHFFFAOYSA-N
XLogP4.74
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]propan-1-amine (CID 2929613) is 3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]propan-1-amine is COc1ccc(CNCCC(c2ccc(F)cc2)c2ccco2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is QFSYWFLKAGTKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO2/c1-24-19-10-4-16(5-11-19)15-23-13-12-20(21-3-2-14-25-21)17-6-8-18(22)9-7-17/h2-11,14,20,23H,12-13,15H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]propan-1-amine?
3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 339.41 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 2929613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).