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

C18H18FNOS — CID 3994494

IUPAC3-(4-fluorophenyl)-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESFc1ccc(C(CCNCc2cccs2)c2ccco2)cc1
InChIInChI=1S/C18H18FNOS/c19-15-7-5-14(6-8-15)17(18-4-1-11-21-18)9-10-20-13-16-3-2-12-22-16/h1-8,11-12,17,20H,9-10,13H2
InChIKeyOTEYWWXSVWLODG-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.79
Rot. Bonds7

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

3-(4-fluorophenyl)-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 3994494) has the molecular formula C18H18FNOS and a molecular weight of 315.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID3994494
Molecular FormulaC18H18FNOS
Molecular Weight315.41 g/mol
Exact Mass315.11
IUPAC Name3-(4-fluorophenyl)-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESFc1ccc(C(CCNCc2cccs2)c2ccco2)cc1
InChIInChI=1S/C18H18FNOS/c19-15-7-5-14(6-8-15)17(18-4-1-11-21-18)9-10-20-13-16-3-2-12-22-16/h1-8,11-12,17,20H,9-10,13H2
InChIKeyOTEYWWXSVWLODG-UHFFFAOYSA-N
XLogP4.79
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.79
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-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine (CID 3994494) is 3-(4-fluorophenyl)-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine is Fc1ccc(C(CCNCc2cccs2)c2ccco2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is OTEYWWXSVWLODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNOS/c19-15-7-5-14(6-8-15)17(18-4-1-11-21-18)9-10-20-13-16-3-2-12-22-16/h1-8,11-12,17,20H,9-10,13H2.
What are the key properties of 3-(4-fluorophenyl)-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
3-(4-fluorophenyl)-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 315.41 g/mol, XLogP of 4.79, 7 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-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 3994494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).