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

C21H22FNO — CID 2937101

IUPAC3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1-phenylethyl)propan-1-amine
SMILESCC(NCCC(c1ccc(F)cc1)c1ccco1)c1ccccc1
InChIInChI=1S/C21H22FNO/c1-16(17-6-3-2-4-7-17)23-14-13-20(21-8-5-15-24-21)18-9-11-19(22)12-10-18/h2-12,15-16,20,23H,13-14H2,1H3
InChIKeyYXRJODAVDZLYFK-UHFFFAOYSA-N
MW323.41 g/mol
LogP5.29
Rot. Bonds7

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

3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1-phenylethyl)propan-1-amine (PubChem CID 2937101) has the molecular formula C21H22FNO and a molecular weight of 323.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1-phenylethyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1-phenylethyl)propan-1-amine
PubChem CID2937101
Molecular FormulaC21H22FNO
Molecular Weight323.41 g/mol
Exact Mass323.17
IUPAC Name3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1-phenylethyl)propan-1-amine
SMILESCC(NCCC(c1ccc(F)cc1)c1ccco1)c1ccccc1
InChIInChI=1S/C21H22FNO/c1-16(17-6-3-2-4-7-17)23-14-13-20(21-8-5-15-24-21)18-9-11-19(22)12-10-18/h2-12,15-16,20,23H,13-14H2,1H3
InChIKeyYXRJODAVDZLYFK-UHFFFAOYSA-N
XLogP5.29
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.41
LogP ≤ 55.29
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-(1-phenylethyl)propan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1-phenylethyl)propan-1-amine (CID 2937101) is 3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1-phenylethyl)propan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1-phenylethyl)propan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1-phenylethyl)propan-1-amine is CC(NCCC(c1ccc(F)cc1)c1ccco1)c1ccccc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1-phenylethyl)propan-1-amine?
The InChIKey is YXRJODAVDZLYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO/c1-16(17-6-3-2-4-7-17)23-14-13-20(21-8-5-15-24-21)18-9-11-19(22)12-10-18/h2-12,15-16,20,23H,13-14H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1-phenylethyl)propan-1-amine?
3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1-phenylethyl)propan-1-amine has a molecular weight of 323.41 g/mol, XLogP of 5.29, 7 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-(1-phenylethyl)propan-1-amine is sourced from PubChem (CID 2937101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).