2-(cyclopenten-1-yl)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]ethanamine

C18H20FNS — CID 106169126

IUPAC2-(cyclopenten-1-yl)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]ethanamine
SMILESFc1ccc(CNCCC2=CCCC2)cc1-c1cccs1
InChIInChI=1S/C18H20FNS/c19-17-8-7-15(12-16(17)18-6-3-11-21-18)13-20-10-9-14-4-1-2-5-14/h3-4,6-8,11-12,20H,1-2,5,9-10,13H2
InChIKeyIPXHJNCWCQCUKO-UHFFFAOYSA-N
MW301.43 g/mol
LogP5.14
Rot. Bonds6

About 2-(cyclopenten-1-yl)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]ethanamine

2-(cyclopenten-1-yl)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]ethanamine (PubChem CID 106169126) has the molecular formula C18H20FNS and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]ethanamine
PubChem CID106169126
Molecular FormulaC18H20FNS
Molecular Weight301.43 g/mol
Exact Mass301.13
IUPAC Name2-(cyclopenten-1-yl)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]ethanamine
SMILESFc1ccc(CNCCC2=CCCC2)cc1-c1cccs1
InChIInChI=1S/C18H20FNS/c19-17-8-7-15(12-16(17)18-6-3-11-21-18)13-20-10-9-14-4-1-2-5-14/h3-4,6-8,11-12,20H,1-2,5,9-10,13H2
InChIKeyIPXHJNCWCQCUKO-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-yl)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]ethanamine?
The IUPAC name of 2-(cyclopenten-1-yl)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]ethanamine (CID 106169126) is 2-(cyclopenten-1-yl)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(cyclopenten-1-yl)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]ethanamine?
The canonical SMILES for 2-(cyclopenten-1-yl)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]ethanamine is Fc1ccc(CNCCC2=CCCC2)cc1-c1cccs1.
What is the InChIKey of 2-(cyclopenten-1-yl)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]ethanamine?
The InChIKey is IPXHJNCWCQCUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNS/c19-17-8-7-15(12-16(17)18-6-3-11-21-18)13-20-10-9-14-4-1-2-5-14/h3-4,6-8,11-12,20H,1-2,5,9-10,13H2.
What are the key properties of 2-(cyclopenten-1-yl)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]ethanamine?
2-(cyclopenten-1-yl)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]ethanamine has a molecular weight of 301.43 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 106169126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).