trans-(1R,2R)-2-[1-(4-fluorophenyl)propan-2-ylamino]cyclopentan-1-ol

C14H20FNO — CID 102733429

IUPACtrans-(1R,2R)-2-[1-(4-fluorophenyl)propan-2-ylamino]cyclopentan-1-ol
SMILESCC(Cc1ccc(F)cc1)N[C@@H]1CCC[C@H]1O
InChIInChI=1S/C14H20FNO/c1-10(16-13-3-2-4-14(13)17)9-11-5-7-12(15)8-6-11/h5-8,10,13-14,16-17H,2-4,9H2,1H3/t10?,13-,14-/m1/s1
InChIKeyCOAHENOKDOWCPO-WDEVSDKISA-N
MW237.32 g/mol
LogP2.26
Rot. Bonds4

About trans-(1R,2R)-2-[1-(4-fluorophenyl)propan-2-ylamino]cyclopentan-1-ol

trans-(1R,2R)-2-[1-(4-fluorophenyl)propan-2-ylamino]cyclopentan-1-ol (PubChem CID 102733429) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is trans-(1R,2R)-2-[1-(4-fluorophenyl)propan-2-ylamino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[1-(4-fluorophenyl)propan-2-ylamino]cyclopentan-1-ol
PubChem CID102733429
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Nametrans-(1R,2R)-2-[1-(4-fluorophenyl)propan-2-ylamino]cyclopentan-1-ol
SMILESCC(Cc1ccc(F)cc1)N[C@@H]1CCC[C@H]1O
InChIInChI=1S/C14H20FNO/c1-10(16-13-3-2-4-14(13)17)9-11-5-7-12(15)8-6-11/h5-8,10,13-14,16-17H,2-4,9H2,1H3/t10?,13-,14-/m1/s1
InChIKeyCOAHENOKDOWCPO-WDEVSDKISA-N
XLogP2.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[1-(4-fluorophenyl)propan-2-ylamino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[1-(4-fluorophenyl)propan-2-ylamino]cyclopentan-1-ol (CID 102733429) is trans-(1R,2R)-2-[1-(4-fluorophenyl)propan-2-ylamino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[1-(4-fluorophenyl)propan-2-ylamino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[1-(4-fluorophenyl)propan-2-ylamino]cyclopentan-1-ol is CC(Cc1ccc(F)cc1)N[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[1-(4-fluorophenyl)propan-2-ylamino]cyclopentan-1-ol?
The InChIKey is COAHENOKDOWCPO-WDEVSDKISA-N. The full InChI is InChI=1S/C14H20FNO/c1-10(16-13-3-2-4-14(13)17)9-11-5-7-12(15)8-6-11/h5-8,10,13-14,16-17H,2-4,9H2,1H3/t10?,13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[1-(4-fluorophenyl)propan-2-ylamino]cyclopentan-1-ol?
trans-(1R,2R)-2-[1-(4-fluorophenyl)propan-2-ylamino]cyclopentan-1-ol has a molecular weight of 237.32 g/mol, XLogP of 2.26, 4 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-(4-fluorophenyl)propan-2-ylamino]cyclopentan-1-ol is sourced from PubChem (CID 102733429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).