trans-(1S,2S)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]cyclopentan-1-ol

C13H18FNO — CID 102733815

IUPACtrans-(1S,2S)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]cyclopentan-1-ol
SMILESC[C@@H](N[C@H]1CCC[C@@H]1O)c1ccccc1F
InChIInChI=1S/C13H18FNO/c1-9(10-5-2-3-6-11(10)14)15-12-7-4-8-13(12)16/h2-3,5-6,9,12-13,15-16H,4,7-8H2,1H3/t9-,12+,13+/m1/s1
InChIKeyOYBIMPCVGUEGGD-ICCXJUOJSA-N
MW223.29 g/mol
LogP2.39
Rot. Bonds3

About trans-(1S,2S)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]cyclopentan-1-ol

trans-(1S,2S)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]cyclopentan-1-ol (PubChem CID 102733815) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is trans-(1S,2S)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]cyclopentan-1-ol
PubChem CID102733815
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Nametrans-(1S,2S)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]cyclopentan-1-ol
SMILESC[C@@H](N[C@H]1CCC[C@@H]1O)c1ccccc1F
InChIInChI=1S/C13H18FNO/c1-9(10-5-2-3-6-11(10)14)15-12-7-4-8-13(12)16/h2-3,5-6,9,12-13,15-16H,4,7-8H2,1H3/t9-,12+,13+/m1/s1
InChIKeyOYBIMPCVGUEGGD-ICCXJUOJSA-N
XLogP2.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-fluorophenyl)ethylamino]cyclopentane-1-carbonitrile
CID 55154369
2-[1-(2-bromophenyl)ethylamino]cyclohexan-1-ol
CID 60714831
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]cyclohexan-1-ol
CID 81379546
2-ethyl-N-[1-(2-fluorophenyl)ethyl]cyclohexan-1-amine
CID 43709448
trans-(1R,2R)-2-[[(1S)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10035860
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10171980
N-[1-(2-fluorophenyl)ethyl]cyclooctanamine
CID 43080224
N-[1-(2-fluorophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43223965
N-[1-(2-fluorophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448317
trans-(1R,2R)-2-[1-(3-fluorophenyl)ethylamino]cyclopentan-1-ol
CID 102733281
trans-(1R,2R)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]cyclohexan-1-ol
CID 104926585
3-[1-(2-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066344

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]cyclopentan-1-ol (CID 102733815) is trans-(1S,2S)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]cyclopentan-1-ol is C[C@@H](N[C@H]1CCC[C@@H]1O)c1ccccc1F.
What is the InChIKey of trans-(1S,2S)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]cyclopentan-1-ol?
The InChIKey is OYBIMPCVGUEGGD-ICCXJUOJSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9(10-5-2-3-6-11(10)14)15-12-7-4-8-13(12)16/h2-3,5-6,9,12-13,15-16H,4,7-8H2,1H3/t9-,12+,13+/m1/s1.
What are the key properties of trans-(1S,2S)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]cyclopentan-1-ol?
trans-(1S,2S)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]cyclopentan-1-ol has a molecular weight of 223.29 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]cyclopentan-1-ol is sourced from PubChem (CID 102733815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).