cis-(1R,2S)-2-[(4-fluorophenyl)methyl]cyclopentan-1-amine

C12H16FN — CID 92754817

IUPACcis-(1R,2S)-2-[(4-fluorophenyl)methyl]cyclopentan-1-amine
SMILESN[C@@H]1CCC[C@H]1Cc1ccc(F)cc1
InChIInChI=1S/C12H16FN/c13-11-6-4-9(5-7-11)8-10-2-1-3-12(10)14/h4-7,10,12H,1-3,8,14H2/t10-,12+/m0/s1
InChIKeyQDTQPMOMFUJZMV-CMPLNLGQSA-N
MW193.27 g/mol
LogP2.50
Rot. Bonds2

About cis-(1R,2S)-2-[(4-fluorophenyl)methyl]cyclopentan-1-amine

cis-(1R,2S)-2-[(4-fluorophenyl)methyl]cyclopentan-1-amine (PubChem CID 92754817) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(4-fluorophenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(4-fluorophenyl)methyl]cyclopentan-1-amine
PubChem CID92754817
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Namecis-(1R,2S)-2-[(4-fluorophenyl)methyl]cyclopentan-1-amine
SMILESN[C@@H]1CCC[C@H]1Cc1ccc(F)cc1
InChIInChI=1S/C12H16FN/c13-11-6-4-9(5-7-11)8-10-2-1-3-12(10)14/h4-7,10,12H,1-3,8,14H2/t10-,12+/m0/s1
InChIKeyQDTQPMOMFUJZMV-CMPLNLGQSA-N
XLogP2.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(4-fluorophenyl)methyl]cyclopentan-1-amine?
The IUPAC name of cis-(1R,2S)-2-[(4-fluorophenyl)methyl]cyclopentan-1-amine (CID 92754817) is cis-(1R,2S)-2-[(4-fluorophenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for cis-(1R,2S)-2-[(4-fluorophenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for cis-(1R,2S)-2-[(4-fluorophenyl)methyl]cyclopentan-1-amine is N[C@@H]1CCC[C@H]1Cc1ccc(F)cc1.
What is the InChIKey of cis-(1R,2S)-2-[(4-fluorophenyl)methyl]cyclopentan-1-amine?
The InChIKey is QDTQPMOMFUJZMV-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H16FN/c13-11-6-4-9(5-7-11)8-10-2-1-3-12(10)14/h4-7,10,12H,1-3,8,14H2/t10-,12+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(4-fluorophenyl)methyl]cyclopentan-1-amine?
cis-(1R,2S)-2-[(4-fluorophenyl)methyl]cyclopentan-1-amine has a molecular weight of 193.27 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(4-fluorophenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 92754817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).