trans-(1R,2R)-2-[1-(3-fluorophenyl)ethylamino]cyclopentan-1-ol

C13H18FNO — CID 102733281

IUPACtrans-(1R,2R)-2-[1-(3-fluorophenyl)ethylamino]cyclopentan-1-ol
SMILESCC(N[C@@H]1CCC[C@H]1O)c1cccc(F)c1
InChIInChI=1S/C13H18FNO/c1-9(10-4-2-5-11(14)8-10)15-12-6-3-7-13(12)16/h2,4-5,8-9,12-13,15-16H,3,6-7H2,1H3/t9?,12-,13-/m1/s1
InChIKeyKTAYIDAWRCXRTO-VFVWQQSLSA-N
MW223.29 g/mol
LogP2.39
Rot. Bonds3

About trans-(1R,2R)-2-[1-(3-fluorophenyl)ethylamino]cyclopentan-1-ol

trans-(1R,2R)-2-[1-(3-fluorophenyl)ethylamino]cyclopentan-1-ol (PubChem CID 102733281) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is trans-(1R,2R)-2-[1-(3-fluorophenyl)ethylamino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[1-(3-fluorophenyl)ethylamino]cyclopentan-1-ol
PubChem CID102733281
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Nametrans-(1R,2R)-2-[1-(3-fluorophenyl)ethylamino]cyclopentan-1-ol
SMILESCC(N[C@@H]1CCC[C@H]1O)c1cccc(F)c1
InChIInChI=1S/C13H18FNO/c1-9(10-4-2-5-11(14)8-10)15-12-6-3-7-13(12)16/h2,4-5,8-9,12-13,15-16H,3,6-7H2,1H3/t9?,12-,13-/m1/s1
InChIKeyKTAYIDAWRCXRTO-VFVWQQSLSA-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

N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81365854
2-[1-(3-chlorophenyl)ethylamino]cyclopentan-1-ol
CID 60713491
N-[1-(3-fluorophenyl)ethyl]-2-methoxycyclopentan-1-amine
CID 55033361
2-tert-butyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 81364809
2-tert-butyl-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 81369390
2-tert-butyl-N-[1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 43078909
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10171980
trans-(1R,2R)-2-[[(1S)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10035860
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]cyclopentane-1-carbonitrile
CID 81365434
2-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopentan-1-amine
CID 81364867
trans-(1S,2S)-2-[1-(3-chlorophenyl)ethylamino]cyclohexan-1-ol
CID 104956148
trans-(1S,2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexan-1-ol
CID 93419082

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[1-(3-fluorophenyl)ethylamino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[1-(3-fluorophenyl)ethylamino]cyclopentan-1-ol (CID 102733281) is trans-(1R,2R)-2-[1-(3-fluorophenyl)ethylamino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[1-(3-fluorophenyl)ethylamino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[1-(3-fluorophenyl)ethylamino]cyclopentan-1-ol is CC(N[C@@H]1CCC[C@H]1O)c1cccc(F)c1.
What is the InChIKey of trans-(1R,2R)-2-[1-(3-fluorophenyl)ethylamino]cyclopentan-1-ol?
The InChIKey is KTAYIDAWRCXRTO-VFVWQQSLSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9(10-4-2-5-11(14)8-10)15-12-6-3-7-13(12)16/h2,4-5,8-9,12-13,15-16H,3,6-7H2,1H3/t9?,12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[1-(3-fluorophenyl)ethylamino]cyclopentan-1-ol?
trans-(1R,2R)-2-[1-(3-fluorophenyl)ethylamino]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-(1R,2R)-2-[1-(3-fluorophenyl)ethylamino]cyclopentan-1-ol is sourced from PubChem (CID 102733281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).