trans-(1S,2R)-2-(4-fluorophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]cyclopentan-1-amine

C17H20FN3 — CID 97101779

IUPACtrans-(1S,2R)-2-(4-fluorophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]cyclopentan-1-amine
SMILESC[C@H](N[C@H]1CCC[C@@H]1c1ccc(F)cc1)c1cnccn1
InChIInChI=1S/C17H20FN3/c1-12(17-11-19-9-10-20-17)21-16-4-2-3-15(16)13-5-7-14(18)8-6-13/h5-12,15-16,21H,2-4H2,1H3/t12-,15+,16-/m0/s1
InChIKeyRNEWVPWFYIIHIL-MAZHCROVSA-N
MW285.37 g/mol
LogP3.60
Rot. Bonds4

About trans-(1S,2R)-2-(4-fluorophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]cyclopentan-1-amine

trans-(1S,2R)-2-(4-fluorophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]cyclopentan-1-amine (PubChem CID 97101779) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is trans-(1S,2R)-2-(4-fluorophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]cyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2R)-2-(4-fluorophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]cyclopentan-1-amine
PubChem CID97101779
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Nametrans-(1S,2R)-2-(4-fluorophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]cyclopentan-1-amine
SMILESC[C@H](N[C@H]1CCC[C@@H]1c1ccc(F)cc1)c1cnccn1
InChIInChI=1S/C17H20FN3/c1-12(17-11-19-9-10-20-17)21-16-4-2-3-15(16)13-5-7-14(18)8-6-13/h5-12,15-16,21H,2-4H2,1H3/t12-,15+,16-/m0/s1
InChIKeyRNEWVPWFYIIHIL-MAZHCROVSA-N
XLogP3.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-(4-fluorophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]cyclopentan-1-amine?
The IUPAC name of trans-(1S,2R)-2-(4-fluorophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]cyclopentan-1-amine (CID 97101779) is trans-(1S,2R)-2-(4-fluorophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]cyclopentan-1-amine.
What is the SMILES notation for trans-(1S,2R)-2-(4-fluorophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]cyclopentan-1-amine?
The canonical SMILES for trans-(1S,2R)-2-(4-fluorophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]cyclopentan-1-amine is C[C@H](N[C@H]1CCC[C@@H]1c1ccc(F)cc1)c1cnccn1.
What is the InChIKey of trans-(1S,2R)-2-(4-fluorophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]cyclopentan-1-amine?
The InChIKey is RNEWVPWFYIIHIL-MAZHCROVSA-N. The full InChI is InChI=1S/C17H20FN3/c1-12(17-11-19-9-10-20-17)21-16-4-2-3-15(16)13-5-7-14(18)8-6-13/h5-12,15-16,21H,2-4H2,1H3/t12-,15+,16-/m0/s1.
What are the key properties of trans-(1S,2R)-2-(4-fluorophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]cyclopentan-1-amine?
trans-(1S,2R)-2-(4-fluorophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]cyclopentan-1-amine has a molecular weight of 285.37 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-(4-fluorophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]cyclopentan-1-amine is sourced from PubChem (CID 97101779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).