[(1R,2S,4S)-2-amino-2-(2-fluorophenyl)-4-methylcyclopentyl]methanol

C13H18FNO — CID 67476464

IUPAC[(1R,2S,4S)-2-amino-2-(2-fluorophenyl)-4-methylcyclopentyl]methanol
SMILESC[C@H]1C[C@@H](CO)[C@](N)(c2ccccc2F)C1
InChIInChI=1S/C13H18FNO/c1-9-6-10(8-16)13(15,7-9)11-4-2-3-5-12(11)14/h2-5,9-10,16H,6-8,15H2,1H3/t9-,10-,13-/m0/s1
InChIKeyZQHJOQLZRBRWKB-KWBADKCTSA-N
MW223.29 g/mol
LogP2.02
Rot. Bonds2

About [(1R,2S,4S)-2-amino-2-(2-fluorophenyl)-4-methylcyclopentyl]methanol

[(1R,2S,4S)-2-amino-2-(2-fluorophenyl)-4-methylcyclopentyl]methanol (PubChem CID 67476464) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is [(1R,2S,4S)-2-amino-2-(2-fluorophenyl)-4-methylcyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,2S,4S)-2-amino-2-(2-fluorophenyl)-4-methylcyclopentyl]methanol
PubChem CID67476464
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name[(1R,2S,4S)-2-amino-2-(2-fluorophenyl)-4-methylcyclopentyl]methanol
SMILESC[C@H]1C[C@@H](CO)[C@](N)(c2ccccc2F)C1
InChIInChI=1S/C13H18FNO/c1-9-6-10(8-16)13(15,7-9)11-4-2-3-5-12(11)14/h2-5,9-10,16H,6-8,15H2,1H3/t9-,10-,13-/m0/s1
InChIKeyZQHJOQLZRBRWKB-KWBADKCTSA-N
XLogP2.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4S)-2-amino-2-(2-fluorophenyl)-4-methylcyclopentyl]methanol?
The IUPAC name of [(1R,2S,4S)-2-amino-2-(2-fluorophenyl)-4-methylcyclopentyl]methanol (CID 67476464) is [(1R,2S,4S)-2-amino-2-(2-fluorophenyl)-4-methylcyclopentyl]methanol.
What is the SMILES notation for [(1R,2S,4S)-2-amino-2-(2-fluorophenyl)-4-methylcyclopentyl]methanol?
The canonical SMILES for [(1R,2S,4S)-2-amino-2-(2-fluorophenyl)-4-methylcyclopentyl]methanol is C[C@H]1C[C@@H](CO)[C@](N)(c2ccccc2F)C1.
What is the InChIKey of [(1R,2S,4S)-2-amino-2-(2-fluorophenyl)-4-methylcyclopentyl]methanol?
The InChIKey is ZQHJOQLZRBRWKB-KWBADKCTSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-6-10(8-16)13(15,7-9)11-4-2-3-5-12(11)14/h2-5,9-10,16H,6-8,15H2,1H3/t9-,10-,13-/m0/s1.
What are the key properties of [(1R,2S,4S)-2-amino-2-(2-fluorophenyl)-4-methylcyclopentyl]methanol?
[(1R,2S,4S)-2-amino-2-(2-fluorophenyl)-4-methylcyclopentyl]methanol has a molecular weight of 223.29 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4S)-2-amino-2-(2-fluorophenyl)-4-methylcyclopentyl]methanol is sourced from PubChem (CID 67476464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).