1-(cyclopenten-1-yl)-2-(2-fluorophenyl)ethanamine

C13H16FN — CID 62078868

IUPAC1-(cyclopenten-1-yl)-2-(2-fluorophenyl)ethanamine
SMILESNC(Cc1ccccc1F)C1=CCCC1
InChIInChI=1S/C13H16FN/c14-12-8-4-3-7-11(12)9-13(15)10-5-1-2-6-10/h3-5,7-8,13H,1-2,6,9,15H2
InChIKeySRIAXELLOPLMQL-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.81
Rot. Bonds3

About 1-(cyclopenten-1-yl)-2-(2-fluorophenyl)ethanamine

1-(cyclopenten-1-yl)-2-(2-fluorophenyl)ethanamine (PubChem CID 62078868) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-2-(2-fluorophenyl)ethanamine
PubChem CID62078868
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name1-(cyclopenten-1-yl)-2-(2-fluorophenyl)ethanamine
SMILESNC(Cc1ccccc1F)C1=CCCC1
InChIInChI=1S/C13H16FN/c14-12-8-4-3-7-11(12)9-13(15)10-5-1-2-6-10/h3-5,7-8,13H,1-2,6,9,15H2
InChIKeySRIAXELLOPLMQL-UHFFFAOYSA-N
XLogP2.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[1-(cyclohexen-1-yl)-2-(2-fluorophenyl)ethyl]hydrazine
CID 106648715
1-(cyclohexen-1-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 62078161
1-(cyclohepten-1-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 62078209
1-[(1E)-cycloocten-1-yl]-2-phenylethanamine
CID 106652454
2-(2-chloro-4-fluorophenyl)-1-[(1E)-cycloocten-1-yl]ethanamine
CID 106652878
cyclopenten-1-yl-(2,3-difluorophenyl)methanamine
CID 62650882
[(1E)-cycloocten-1-yl]-(2-fluorophenyl)methanamine
CID 106652892
(1R)-1-(cyclopenten-1-yl)propan-1-amine
CID 82763490
1-[(1E)-cycloocten-1-yl]-2-(2,3-difluorophenyl)ethanol
CID 106657648
1-(3-chloro-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine
CID 64713277
2-(cyclohexen-1-yl)-1-(cycloocten-1-yl)ethanamine
CID 106654410
4-cyclopentyl-1-(2-fluorophenyl)butan-2-amine
CID 61080006

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-2-(2-fluorophenyl)ethanamine?
The IUPAC name of 1-(cyclopenten-1-yl)-2-(2-fluorophenyl)ethanamine (CID 62078868) is 1-(cyclopenten-1-yl)-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(cyclopenten-1-yl)-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for 1-(cyclopenten-1-yl)-2-(2-fluorophenyl)ethanamine is NC(Cc1ccccc1F)C1=CCCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)-2-(2-fluorophenyl)ethanamine?
The InChIKey is SRIAXELLOPLMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN/c14-12-8-4-3-7-11(12)9-13(15)10-5-1-2-6-10/h3-5,7-8,13H,1-2,6,9,15H2.
What are the key properties of 1-(cyclopenten-1-yl)-2-(2-fluorophenyl)ethanamine?
1-(cyclopenten-1-yl)-2-(2-fluorophenyl)ethanamine has a molecular weight of 205.28 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 62078868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).